 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Boat_STD_wB97XD-def2SVPDr.in
 Output=18_methylcyclopentanone_Boat_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/18_methylcyclopentanone_Boat_STD/Gau-11349.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/18_methylcyclopentanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11350.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Boat_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:56:15 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.633721000000      1.221277000000     -0.338752000000
  C                                                 1.202323000000     -0.162379000000     -0.033480000000
  C                                                 0.137211000000     -0.968205000000      0.702463000000
  C                                                -1.174040000000     -0.198817000000      0.488459000000
  C                                                -0.703929000000      1.273985000000      0.406927000000
  O                                                 2.304239000000     -0.549644000000     -0.325314000000
  H                                                 0.503664000000      1.289578000000     -1.422345000000
  H                                                 1.346883000000      1.995992000000     -0.058182000000
  H                                                 0.420796000000     -0.975077000000      1.760549000000
  H                                                 0.126808000000     -2.003965000000      0.363566000000
  H                                                -1.851041000000     -0.333959000000      1.333578000000
  C                                                -1.889774000000     -0.644315000000     -0.786475000000
  H                                                -0.549986000000      1.664030000000      1.415809000000
  H                                                -1.441119000000      1.913307000000     -0.079228000000
  H                                                -1.248924000000     -0.537622000000     -1.665524000000
  H                                                -2.789893000000     -0.050884000000     -0.957715000000
  H                                                -2.184175000000     -1.693520000000     -0.722841000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1          12           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 17:56:16 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526762   0.000000
     3  C    2.474769   1.524936   0.000000
     4  C    2.443142   2.433280   1.535296   0.000000
     5  C    1.532359   2.427117   2.412939   1.548159   0.000000
     6  O    2.434537   1.203894   2.434652   3.589391   3.593171
     7  H    1.093505   2.127263   3.121967   2.946385   2.191976
     8  H    1.089726   2.163348   3.290646   3.386895   2.223387
     9  H    3.045714   2.118915   1.095451   2.182726   2.855797
    10  H    3.339521   2.169290   1.089843   2.228534   3.381858
    11  H    3.374832   3.349824   2.180303   1.091247   2.181750
    12  C    3.170003   3.218746   2.535845   1.528463   2.551531
    13  H    2.162331   2.916641   2.812430   2.172469   1.092555
    14  H    2.202548   3.361302   3.377170   2.203331   1.090196
    15  H    2.898000   2.968668   2.777433   2.181751   2.806064
    16  H    3.704408   4.099321   3.487923   2.173542   2.822901
    17  H    4.072359   3.779944   2.818937   2.172961   3.503368
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.797907   0.000000
     8  H    2.732792   1.752421   0.000000
     9  H    2.842389   3.907217   3.604535   0.000000
    10  H    2.707547   3.765491   4.203107   1.759716   0.000000
    11  H    4.479374   3.971853   4.194328   2.398871   2.764368
    12  C    4.220353   3.142104   4.239998   3.454775   2.690324
    13  H    4.009796   3.050494   2.425069   2.833046   3.875494
    14  H    4.489364   2.444419   2.789307   3.897983   4.242580
    15  H    3.797535   2.543494   3.967488   3.836314   2.856573
    16  H    5.157410   3.586117   4.702316   4.307159   3.750660
    17  H    4.648907   4.075863   5.150014   3.670049   2.572411
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.142999   0.000000
    13  H    2.385679   3.460281   0.000000
    14  H    2.685938   2.691267   1.758236   0.000000
    15  H    3.065720   1.093069   3.851026   2.925804   0.000000
    16  H    2.492308   1.091649   3.686696   2.539484   1.764226
    17  H    2.487618   1.091583   4.303201   3.738391   1.760524
                   16         17
    16  H    0.000000
    17  H    1.766441   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.53D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4282585           2.2049386           1.8432612
 Leave Link  202 at Fri Jul 23 17:56:16 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     13     14     15     16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   237 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   327 primitive gaussians,   237 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       309.8033475478 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0102903602 Hartrees.
 Nuclear repulsion after empirical dispersion term =      309.7930571877 Hartrees.
 Leave Link  301 at Fri Jul 23 17:56:17 2021, MaxMem= 10737418240 cpu:              14.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  6.52D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   237   237   237   237   237 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 23 17:56:18 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:56:18 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:56:19 2021, MaxMem= 10737418240 cpu:               5.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737299669 LenY= 10737243059
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.583607553403    
 DIIS: error= 4.11D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.583607553403     IErMin= 1 ErrMin= 4.11D-03
 ErrMax= 4.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.80D-03 BMatP= 7.80D-03
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.11D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.81D-03 MaxDP=9.53D-02              OVMax= 1.60D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.81D-03    CP:  1.00D+00
 E= -309.590170881443     Delta-E=       -0.006563328040 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.590170881443     IErMin= 2 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-04 BMatP= 7.80D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.05D-02
 Coeff-Com: -0.198D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.196D-01 0.102D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.44D-04 MaxDP=1.60D-02 DE=-6.56D-03 OVMax= 7.76D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.45D-04    CP:  1.00D+00  1.11D+00
 E= -309.590360987689     Delta-E=       -0.000190106246 Rises=F Damp=F
 DIIS: error= 9.36D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -309.590360987689     IErMin= 3 ErrMin= 9.36D-04
 ErrMax= 9.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-04 BMatP= 2.25D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.36D-03
 Coeff-Com: -0.475D-01 0.510D+00 0.538D+00
 Coeff-En:   0.000D+00 0.837D-01 0.916D+00
 Coeff:     -0.470D-01 0.506D+00 0.541D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=3.64D-03 DE=-1.90D-04 OVMax= 3.05D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.72D-05    CP:  1.00D+00  1.12D+00  1.01D+00
 E= -309.590504076294     Delta-E=       -0.000143088605 Rises=F Damp=F
 DIIS: error= 2.37D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.590504076294     IErMin= 4 ErrMin= 2.37D-04
 ErrMax= 2.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-05 BMatP= 2.07D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.37D-03
 Coeff-Com: -0.182D-01 0.119D+00 0.229D+00 0.671D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.182D-01 0.119D+00 0.228D+00 0.671D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.68D-05 MaxDP=1.16D-03 DE=-1.43D-04 OVMax= 7.74D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.87D-05    CP:  1.00D+00  1.13D+00  1.06D+00  1.05D+00
 E= -309.590513876642     Delta-E=       -0.000009800348 Rises=F Damp=F
 DIIS: error= 5.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.590513876642     IErMin= 5 ErrMin= 5.69D-05
 ErrMax= 5.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-06 BMatP= 1.29D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.841D-03-0.369D-01-0.819D-02 0.263D+00 0.782D+00
 Coeff:      0.841D-03-0.369D-01-0.819D-02 0.263D+00 0.782D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.77D-05 MaxDP=5.23D-04 DE=-9.80D-06 OVMax= 3.44D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.14D-05    CP:  1.00D+00  1.13D+00  1.09D+00  1.11D+00  8.83D-01
 E= -309.590515451415     Delta-E=       -0.000001574773 Rises=F Damp=F
 DIIS: error= 7.19D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.590515451415     IErMin= 6 ErrMin= 7.19D-06
 ErrMax= 7.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.78D-08 BMatP= 1.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.960D-03-0.144D-01-0.101D-01 0.328D-01 0.195D+00 0.796D+00
 Coeff:      0.960D-03-0.144D-01-0.101D-01 0.328D-01 0.195D+00 0.796D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.94D-06 MaxDP=8.20D-05 DE=-1.57D-06 OVMax= 7.78D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.75D-06    CP:  1.00D+00  1.13D+00  1.10D+00  1.11D+00  9.28D-01
                    CP:  9.86D-01
 E= -309.590515494884     Delta-E=       -0.000000043469 Rises=F Damp=F
 DIIS: error= 2.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.590515494884     IErMin= 7 ErrMin= 2.21D-06
 ErrMax= 2.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-09 BMatP= 3.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-03-0.920D-03-0.619D-03-0.834D-02-0.138D-02 0.165D+00
 Coeff-Com:  0.846D+00
 Coeff:      0.155D-03-0.920D-03-0.619D-03-0.834D-02-0.138D-02 0.165D+00
 Coeff:      0.846D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=9.50D-07 MaxDP=2.64D-05 DE=-4.35D-08 OVMax= 2.43D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.30D-07    CP:  1.00D+00  1.13D+00  1.10D+00  1.11D+00  9.36D-01
                    CP:  1.03D+00  1.10D+00
 E= -309.590515498421     Delta-E=       -0.000000003537 Rises=F Damp=F
 DIIS: error= 7.66D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.590515498421     IErMin= 8 ErrMin= 7.66D-07
 ErrMax= 7.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-10 BMatP= 2.70D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.621D-04 0.140D-02 0.123D-02-0.740D-02-0.246D-01-0.504D-01
 Coeff-Com:  0.262D+00 0.818D+00
 Coeff:     -0.621D-04 0.140D-02 0.123D-02-0.740D-02-0.246D-01-0.504D-01
 Coeff:      0.262D+00 0.818D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.87D-07 MaxDP=1.06D-05 DE=-3.54D-09 OVMax= 1.24D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.25D-07    CP:  1.00D+00  1.13D+00  1.10D+00  1.11D+00  9.39D-01
                    CP:  1.05D+00  1.18D+00  1.03D+00
 E= -309.590515498963     Delta-E=       -0.000000000541 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.590515498963     IErMin= 9 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-11 BMatP= 4.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-04 0.320D-03 0.301D-03-0.104D-02-0.432D-02-0.174D-01
 Coeff-Com:  0.121D-03 0.140D+00 0.882D+00
 Coeff:     -0.208D-04 0.320D-03 0.301D-03-0.104D-02-0.432D-02-0.174D-01
 Coeff:      0.121D-03 0.140D+00 0.882D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=7.73D-08 MaxDP=1.76D-06 DE=-5.41D-10 OVMax= 2.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.25D-08    CP:  1.00D+00  1.13D+00  1.09D+00  1.11D+00  9.39D-01
                    CP:  1.05D+00  1.19D+00  1.08D+00  1.10D+00
 E= -309.590515498985     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 4.03D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.590515498985     IErMin=10 ErrMin= 4.03D-08
 ErrMax= 4.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-13 BMatP= 1.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.580D-06-0.425D-04-0.292D-04 0.327D-03 0.102D-02 0.926D-03
 Coeff-Com: -0.186D-01-0.370D-01 0.144D+00 0.909D+00
 Coeff:      0.580D-06-0.425D-04-0.292D-04 0.327D-03 0.102D-02 0.926D-03
 Coeff:     -0.186D-01-0.370D-01 0.144D+00 0.909D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.19D-08 MaxDP=5.24D-07 DE=-2.22D-11 OVMax= 9.14D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.47D-08    CP:  1.00D+00  1.13D+00  1.09D+00  1.11D+00  9.39D-01
                    CP:  1.05D+00  1.19D+00  1.09D+00  1.15D+00  1.02D+00
 E= -309.590515498989     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -309.590515498989     IErMin=11 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-14 BMatP= 8.34D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-05-0.283D-04-0.229D-04 0.119D-03 0.437D-03 0.130D-02
 Coeff-Com: -0.278D-02-0.144D-01-0.338D-01 0.142D+00 0.907D+00
 Coeff:      0.149D-05-0.283D-04-0.229D-04 0.119D-03 0.437D-03 0.130D-02
 Coeff:     -0.278D-02-0.144D-01-0.338D-01 0.142D+00 0.907D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=6.42D-09 MaxDP=1.30D-07 DE=-3.87D-12 OVMax= 4.07D-07

 SCF Done:  E(RwB97XD) =  -309.590515499     A.U. after   11 cycles
            NFock= 11  Conv=0.64D-08     -V/T= 2.0116
 KE= 3.060544112256D+02 PE=-1.337783789527D+03 EE= 4.123458056146D+02
 Leave Link  502 at Fri Jul 23 17:56:55 2021, MaxMem= 10737418240 cpu:             559.7 elap:              35.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    223 NOA=    27 NOB=    27 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.25637411D+02

 Leave Link  801 at Fri Jul 23 17:56:55 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5137 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.82D-14 8.33D-09 XBig12= 1.00D+00 3.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.82D-14 8.33D-09 XBig12= 1.52D-01 1.43D-01.
     11 vectors produced by pass  2 Test12= 8.82D-14 8.33D-09 XBig12= 2.04D-02 3.24D-02.
     11 vectors produced by pass  3 Test12= 8.82D-14 8.33D-09 XBig12= 1.21D-03 9.25D-03.
     11 vectors produced by pass  4 Test12= 8.82D-14 8.33D-09 XBig12= 4.61D-05 1.58D-03.
     11 vectors produced by pass  5 Test12= 8.82D-14 8.33D-09 XBig12= 9.44D-07 2.06D-04.
     11 vectors produced by pass  6 Test12= 8.82D-14 8.33D-09 XBig12= 2.28D-08 3.49D-05.
     11 vectors produced by pass  7 Test12= 8.82D-14 8.33D-09 XBig12= 4.66D-10 4.04D-06.
     11 vectors produced by pass  8 Test12= 8.82D-14 8.33D-09 XBig12= 8.28D-12 5.98D-07.
      9 vectors produced by pass  9 Test12= 8.82D-14 8.33D-09 XBig12= 1.26D-13 6.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.799977D+02
      2 -0.104297D+01  0.729182D+02
      3 -0.154609D+01 -0.141111D+01  0.647272D+02
 Isotropic polarizability for W=    0.093368       72.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.190771D+02 -0.166873D+02 -0.239994D+02
      2   0.100832D+02  0.150917D+02  0.926321D+01
      3   0.899398D+01  0.159556D+01  0.147362D+02
      4  -0.868295D+01 -0.286541D+02 -0.759958D+01
      5  -0.209021D+02 -0.547365D+01 -0.375678D+02
      6   0.154043D+00  0.191853D+01  0.528044D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.278766D+01  0.408881D+00 -0.204611D+01
      2  -0.883056D+01 -0.273564D+01 -0.176629D+02
      3   0.561164D+01  0.141880D+02  0.228997D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.212593D+01 -0.734468D+01 -0.368488D+01
      2  -0.309734D+01 -0.775362D+01 -0.465618D+02
      3   0.800431D+01  0.387373D+02  0.562769D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.308651D+00  0.800168D+00 -0.351454D+00
      2   0.800168D+00  0.600410D+00 -0.109335D+00
      3  -0.351454D+00 -0.109335D+00  0.143293D+01
 OR G Eigenvalues:    -0.3816     1.0408     1.6828  Iso=    -0.7807
 Eigenvectors:
   (1)   0.776377  -0.620053   0.113016
   (2)   0.449683   0.670592   0.589993
   (3)  -0.441615  -0.407236   0.799459
 w=    0.093368 a.u., Optical Rotation Beta=     -0.7807 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =     -448.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.13D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.15D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.47D-14 2.78D-09 XBig12= 1.00D+00 3.38D-01.
     30 vectors produced by pass  1 Test12= 1.47D-14 2.78D-09 XBig12= 5.49D-02 4.29D-02.
     30 vectors produced by pass  2 Test12= 1.47D-14 2.78D-09 XBig12= 1.82D-03 6.09D-03.
     30 vectors produced by pass  3 Test12= 1.47D-14 2.78D-09 XBig12= 1.80D-05 8.44D-04.
     30 vectors produced by pass  4 Test12= 1.47D-14 2.78D-09 XBig12= 1.97D-07 4.77D-05.
     30 vectors produced by pass  5 Test12= 1.47D-14 2.78D-09 XBig12= 1.36D-09 3.87D-06.
     30 vectors produced by pass  6 Test12= 1.47D-14 2.78D-09 XBig12= 8.77D-12 3.94D-07.
     30 vectors produced by pass  7 Test12= 1.47D-14 2.78D-09 XBig12= 5.26D-14 3.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 7.82D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 7.82D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.84D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.799977D+02 -0.104297D+01 -0.154609D+01
      2  -0.104297D+01  0.729182D+02 -0.141111D+01
      3  -0.154609D+01 -0.141111D+01  0.647272D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.278766D+01  0.408881D+00 -0.204611D+01
      2  -0.883056D+01 -0.273564D+01 -0.176629D+02
      3   0.561164D+01  0.141880D+02  0.228997D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.190771D+02 -0.166873D+02 -0.239994D+02
      2   0.100832D+02  0.150917D+02  0.926321D+01
      3   0.899398D+01  0.159556D+01  0.147362D+02
      4  -0.868295D+01 -0.286541D+02 -0.759958D+01
      5  -0.209021D+02 -0.547365D+01 -0.375678D+02
      6   0.154043D+00  0.191853D+01  0.528044D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.163988D+00 -0.200484D+01 -0.130695D+01 -0.188919D+01 -0.351025D+01
      2  -0.200484D+01 -0.504964D+01  0.402103D+00 -0.351025D+01 -0.423164D+00
      3  -0.130695D+01  0.402103D+00  0.498328D+00  0.582125D-01 -0.886059D+00
                 6             7             8             9            10 
      1   0.582125D-01 -0.120982D+01 -0.119776D+01  0.903161D+00 -0.631081D+01
      2  -0.886059D+00 -0.119776D+01 -0.128093D+00 -0.106868D+01  0.365855D+01
      3  -0.390394D+00  0.903161D+00 -0.106868D+01  0.494163D+01  0.113744D+01
                11            12            13            14            15 
      1   0.365855D+01  0.113744D+01  0.305719D+01  0.518982D+00 -0.719169D+00
      2   0.297881D+01 -0.198542D+01  0.518982D+00 -0.225312D+01  0.405626D+00
      3  -0.198542D+01  0.287969D+00 -0.719169D+00  0.405626D+00  0.444573D+00
                16            17            18            19            20 
      1   0.149062D+01 -0.812052D+00 -0.492890D+00  0.111978D+01 -0.272721D+01
      2  -0.812052D+00 -0.678600D+00  0.696652D+00 -0.272721D+01 -0.100362D+01
      3  -0.492890D+00  0.696652D+00  0.772403D-01  0.118386D+01  0.916160D+00
                21            22            23            24            25 
      1   0.118386D+01 -0.167755D+01  0.927972D-01  0.209564D+00 -0.818374D+00
      2   0.916160D+00  0.927972D-01  0.637722D+01  0.121637D+01  0.328368D+00
      3  -0.246679D+01  0.209564D+00  0.121637D+01 -0.170369D+00 -0.148470D+01
                26            27            28            29            30 
      1   0.328368D+00 -0.148470D+01 -0.121054D+01  0.221029D+01 -0.206887D+01
      2   0.216867D+01  0.381509D+00  0.221029D+01 -0.273957D+01  0.876155D+00
      3   0.381509D+00 -0.542342D+01 -0.206887D+01  0.876155D+00  0.390509D+01
                31            32            33            34            35 
      1   0.175906D+01 -0.213137D+01  0.773821D+00 -0.187584D+01  0.605974D+00
      2  -0.213137D+01 -0.470678D+01 -0.722480D+00  0.605974D+00  0.475883D+00
      3   0.773821D+00 -0.722480D+00  0.166011D+01  0.453708D+01  0.182287D+01
                36            37            38            39            40 
      1   0.453708D+01  0.244785D+00 -0.154790D+01  0.243678D+01 -0.750744D+00
      2   0.182287D+01 -0.154790D+01  0.330037D+01 -0.101838D+01  0.344132D+01
      3  -0.467271D+00  0.243678D+01 -0.101838D+01 -0.124700D+01 -0.127421D+01
                41            42            43            44            45 
      1   0.344132D+01 -0.127421D+01  0.258807D+01 -0.186948D+01 -0.976679D+00
      2   0.225070D+01  0.173053D+00 -0.186948D+01 -0.156872D+00 -0.322287D+01
      3   0.173053D+00 -0.226429D+01 -0.976679D+00 -0.322287D+01 -0.463932D+01
                46            47            48            49            50 
      1   0.152714D+02 -0.349806D+01 -0.207041D+01 -0.317925D+01  0.371697D+01
      2  -0.349806D+01  0.177663D+01  0.879928D+00  0.371697D+01 -0.242757D+01
      3  -0.207041D+01  0.879928D+00  0.188776D+01  0.692645D+00 -0.104560D+01
                51            52            53            54            55 
      1   0.692645D+00 -0.223008D+01  0.653866D+00  0.375649D+01 -0.657629D+00
      2  -0.104560D+01  0.653866D+00 -0.490635D+00 -0.143449D+01  0.512902D+00
      3  -0.847974D+00  0.375649D+01 -0.143449D+01 -0.200245D+01 -0.887868D+00
                56            57            58            59            60 
      1   0.512902D+00 -0.887868D+00  0.166372D+00  0.252791D+00  0.115093D+00
      2   0.501205D+00 -0.206704D-01  0.252791D+00  0.881169D+00 -0.976243D+00
      3  -0.206704D-01 -0.386829D+00  0.115093D+00 -0.976243D+00  0.585503D+00
                61            62            63            64            65 
      1  -0.159563D+01  0.301964D+00 -0.100309D+00  0.409761D+01  0.311376D+01
      2   0.301964D+00 -0.222674D+01  0.214917D+01  0.311376D+01  0.430591D+01
      3  -0.100309D+00  0.214917D+01 -0.785407D+01  0.295038D+00  0.485789D-02
                66            67            68            69            70 
      1   0.295038D+00  0.271675D+01  0.292298D+01  0.686697D-01  0.107896D+01
      2   0.485789D-02  0.292298D+01  0.592944D+01  0.481986D+00  0.854093D+00
      3   0.649467D+00  0.686697D-01  0.481986D+00  0.943352D+00  0.488494D+00
                71            72            73            74            75 
      1   0.854093D+00  0.488494D+00  0.767806D+00  0.719296D-01  0.133119D+01
      2   0.123791D+01  0.121175D+01  0.719296D-01  0.579551D+00 -0.711104D+00
      3   0.121175D+01  0.145041D-01  0.133119D+01 -0.711104D+00  0.198372D+01
                76            77            78            79            80 
      1   0.450228D+00  0.907421D-01 -0.124675D+00  0.228374D+01 -0.280041D+00
      2   0.907421D-01 -0.100238D+01  0.108159D+01 -0.280041D+00  0.149562D+01
      3  -0.124675D+00  0.108159D+01 -0.334259D+00  0.133285D+01 -0.177305D+01
                81            82            83            84            85 
      1   0.133285D+01 -0.127953D+00 -0.950803D+00 -0.433606D+00 -0.163623D+01
      2  -0.177305D+01 -0.950803D+00  0.341933D+00 -0.200051D+00 -0.509382D-01
      3   0.911833D+01 -0.433606D+00 -0.200051D+00  0.236709D+00 -0.780762D-01
                86            87            88            89            90 
      1  -0.509382D-01 -0.780762D-01 -0.571003D+00  0.128724D+00  0.440843D-01
      2  -0.917591D+01 -0.311452D+00  0.128724D+00 -0.235992D+01 -0.120230D+01
      3  -0.311452D+00 -0.125642D+01  0.440843D-01 -0.120230D+01  0.167357D+00
                91            92            93            94            95 
      1  -0.476853D+01 -0.973735D+00  0.280251D+01 -0.718736D+00 -0.760847D+00
      2  -0.973735D+00 -0.743670D+00  0.197820D+00 -0.760847D+00 -0.626032D-01
      3   0.280251D+01  0.197820D+00 -0.335548D+01  0.139741D+00  0.104154D+01
                96            97            98            99           100 
      1   0.139741D+00  0.322912D+01  0.381273D+00 -0.344462D+01  0.320827D+01
      2   0.104154D+01  0.381273D+00  0.103269D+01 -0.795729D+00 -0.254976D+01
      3  -0.743607D+00 -0.344462D+01 -0.795729D+00  0.526422D+01  0.171988D+01
               101           102           103           104           105 
      1  -0.254976D+01  0.171988D+01 -0.308768D+01  0.383674D+01 -0.116650D+01
      2   0.280236D+01 -0.102559D+01  0.383674D+01  0.563108D+01  0.536375D+00
      3  -0.102559D+01 -0.338095D+01 -0.116650D+01  0.536375D+00 -0.139738D+01
               106           107           108           109           110 
      1   0.126434D+01 -0.117510D+01 -0.388263D+01  0.521055D+00  0.743029D+00
      2  -0.117510D+01 -0.629530D+00 -0.147253D+01  0.743029D+00  0.780033D-01
      3  -0.388263D+01 -0.147253D+01  0.111875D+01  0.739270D+00  0.379658D+00
               111           112           113           114           115 
      1   0.739270D+00  0.686763D+00 -0.283017D+00  0.607646D-01  0.118638D+01
      2   0.379658D+00 -0.283017D+00  0.214943D+01  0.209199D+01  0.369844D+00
      3   0.736676D+00  0.607646D-01  0.209199D+01  0.229178D+01  0.349327D-01
               116           117           118           119           120 
      1   0.369844D+00  0.349327D-01 -0.451555D+01  0.289619D+01 -0.117676D+01
      2   0.304307D+01  0.347733D+01  0.289619D+01 -0.360741D+01  0.654343D+00
      3   0.347733D+01  0.728012D+01 -0.117676D+01  0.654343D+00 -0.941238D+00
               121           122           123           124           125 
      1   0.237439D+01 -0.275879D+01  0.570506D+00 -0.185191D+01  0.116945D+01
      2  -0.275879D+01  0.415488D+01 -0.804687D+00  0.116945D+01 -0.184849D+01
      3   0.570506D+00 -0.804687D+00  0.120271D+01 -0.993751D+00  0.153567D+01
               126           127           128           129           130 
      1  -0.993751D+00  0.195225D+01  0.518077D+00 -0.129252D+01  0.582269D+00
      2   0.153567D+01  0.518077D+00  0.550777D+00  0.271585D+00  0.806821D-02
      3  -0.650487D+00 -0.129252D+01  0.271585D+00  0.292682D+01  0.719189D-01
               131           132           133           134           135 
      1   0.806821D-02  0.719189D-01 -0.189777D+01 -0.633665D-01  0.132089D+01
      2  -0.446657D+00 -0.795686D+00 -0.633665D-01 -0.102634D+01 -0.120832D+00
      3  -0.795686D+00  0.400478D+00  0.132089D+01 -0.120832D+00 -0.586659D+01
               136           137           138           139           140 
      1  -0.772076D+01  0.202172D+01 -0.202507D+01  0.368107D+01 -0.212637D+01
      2   0.202172D+01 -0.203224D+01  0.452845D+00 -0.212637D+01  0.140506D+01
      3  -0.202507D+01  0.452845D+00 -0.130457D+01  0.116622D+01 -0.532620D+00
               141           142           143           144           145 
      1   0.116622D+01 -0.121099D+01  0.507598D+00 -0.100193D+01 -0.203512D+01
      2  -0.532620D+00  0.507598D+00 -0.145020D+00  0.613480D+00 -0.149415D+01
      3   0.129063D+01 -0.100193D+01  0.613480D+00 -0.941720D+00 -0.383920D+00
               146           147           148           149           150 
      1  -0.149415D+01 -0.383920D+00 -0.253470D+01 -0.325980D+01 -0.564515D+00
      2  -0.203940D+01 -0.742344D-01 -0.325980D+01 -0.828079D+01 -0.953711D+00
      3  -0.742344D-01 -0.296801D-01 -0.564515D+00 -0.953711D+00 -0.141444D+01
               151           152           153 
      1   0.140166D+00  0.966485D-01 -0.404826D-01
      2   0.966485D-01  0.236410D+00 -0.797953D+00
      3  -0.404826D-01 -0.797953D+00 -0.136816D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.499314D+01  0.427870D+01 -0.162177D+01  0.174283D+01  0.260562D+01
      2  -0.107548D+01 -0.141886D+01  0.145796D+01 -0.162793D+01 -0.300138D+01
      3   0.437349D+01  0.389640D+00 -0.438099D+01  0.621858D+01 -0.412993D+01
                 6             7             8             9            10 
      1  -0.468744D+01 -0.451681D+01  0.498258D+01 -0.670845D+01 -0.278718D+01
      2  -0.983398D+00 -0.292400D+01 -0.269610D+01  0.746389D+01 -0.395300D+01
      3  -0.133363D+00 -0.331130D+01 -0.311265D+01  0.414455D+01  0.195205D+01
                11            12            13            14            15 
      1   0.781797D+01 -0.306254D+01  0.567168D+01  0.551426D+01  0.149628D+01
      2  -0.720680D+01 -0.562137D+01 -0.393823D+01 -0.245161D+00  0.191449D+01
      3  -0.274253D+01  0.403881D+01  0.161160D+01 -0.196597D+01 -0.227996D+01
                16            17            18            19            20 
      1   0.188341D+01  0.170215D+02 -0.696279D+01 -0.573280D+00 -0.408121D+00
      2  -0.118406D+02 -0.175417D+01  0.677582D+01 -0.381336D+01  0.434466D+01
      3   0.233132D+01 -0.529748D+01  0.229417D+00 -0.557385D+00  0.303576D+01
                21            22            23            24            25 
      1  -0.496660D+01  0.120063D+01  0.849377D+01 -0.289556D+01 -0.361374D+00
      2   0.137392D+01  0.358641D+01 -0.628306D+00  0.261730D+01 -0.472854D+01
      3  -0.219530D+01  0.780944D+01 -0.564659D+01  0.106218D+01 -0.145044D+01
                26            27            28            29            30 
      1   0.503232D+01 -0.735526D+01  0.135081D+01 -0.188880D+01  0.944403D+00
      2   0.127608D+01 -0.232866D+01  0.792792D+01 -0.185069D+01 -0.127104D+01
      3   0.765865D+00  0.130759D+01  0.458011D+01 -0.861929D+01  0.151309D+01
                31            32            33            34            35 
      1  -0.286806D+01 -0.321211D+01 -0.307405D+01 -0.157177D+00  0.460840D+01
      2  -0.338041D+01  0.123149D+01 -0.223832D+01 -0.873131D+01 -0.386988D+01
      3  -0.239973D+01 -0.646031D+01  0.556357D-02  0.926695D+00  0.532911D-01
                36            37            38            39            40 
      1   0.509918D+00 -0.415432D+01  0.523576D+01  0.180240D+01  0.547487D+01
      2   0.794949D-02 -0.604372D+01  0.323732D+01  0.185989D+01  0.240062D+01
      3   0.128085D+01 -0.485722D+01 -0.149381D+01  0.320960D+01  0.484921D+01
                41            42            43            44            45 
      1   0.269030D+01  0.194805D+01  0.148849D+01  0.893161D+01  0.461233D+01
      2  -0.231332D+01  0.253404D+01 -0.413330D+01  0.452320D+01  0.398027D+01
      3   0.844170D+01 -0.158542D+01  0.332120D+01 -0.328117D+01 -0.377446D+01
                46            47            48            49            50 
      1   0.108381D+01 -0.497229D+01  0.396068D+01 -0.168878D+01 -0.105346D+00
      2  -0.744696D+00  0.152010D+01  0.129958D+02  0.120883D+01 -0.109052D+01
      3  -0.195515D+01 -0.127118D+02 -0.204929D-01 -0.129991D+01  0.640180D+01
                51            52            53            54            55 
      1  -0.307487D+01 -0.409086D+00 -0.304289D+01  0.145554D+01  0.145518D+00
      2  -0.379991D+01  0.402499D+01  0.685619D-01 -0.607215D+01 -0.180551D+01
      3   0.998873D+00  0.160699D+01  0.413003D+01  0.267332D+00 -0.177624D+01
                56            57            58            59            60 
      1   0.904443D+00  0.714020D+00  0.135191D+01  0.467316D-01 -0.747545D+00
      2   0.272198D+00 -0.372995D-01 -0.146930D+00 -0.534618D+00  0.107830D+00
      3  -0.100812D+01 -0.679729D+00  0.496750D+00  0.783239D+00  0.336999D+00
                61            62            63            64            65 
      1   0.808101D+00 -0.221467D+01  0.137008D+02 -0.151886D+01 -0.522585D+01
      2  -0.334877D+01  0.278114D+01 -0.886843D+01  0.201367D+01  0.219417D+01
      3  -0.279787D+01  0.293631D+01 -0.213084D+01  0.406282D+01 -0.375944D+00
                66            67            68            69            70 
      1  -0.159317D+01 -0.237283D+01 -0.414197D+01 -0.283081D+01 -0.128206D+01
      2   0.229199D+01  0.179229D+01  0.306979D+01  0.152747D+01  0.198127D+00
      3   0.607942D+00  0.441895D+01 -0.273152D+00 -0.424082D+00  0.161808D+01
                71            72            73            74            75 
      1  -0.181664D+01 -0.694760D+00 -0.101823D+00 -0.100846D+01  0.408429D+01
      2   0.162950D+01  0.284562D+00  0.771301D+00 -0.133217D-01 -0.588409D+00
      3  -0.207334D+00 -0.159242D+00 -0.273830D+00 -0.168958D+01 -0.143357D+01
                76            77            78            79            80 
      1  -0.125004D+01  0.809027D-01  0.252004D+00  0.107251D+01 -0.961670D-01
      2  -0.649891D+00  0.761372D-01  0.315630D-02 -0.397240D+01  0.404307D+00
      3   0.374084D+00  0.178591D+00 -0.158735D-01 -0.263685D+01  0.176343D+00
                81            82            83            84            85 
      1   0.114442D+02  0.425688D-01  0.141915D+00 -0.463506D+00 -0.138946D+01
      2   0.821857D+00 -0.913188D+00  0.139804D-01  0.160625D+01  0.135332D+01
      3  -0.212426D+01  0.401412D+00 -0.978006D+00  0.866071D+00  0.543996D+01
                86            87            88            89            90 
      1  -0.109671D+02 -0.373862D+01 -0.415891D+00 -0.298288D+01 -0.151836D+01
      2   0.164767D+00 -0.617708D+00 -0.187464D+00  0.217670D-01 -0.332154D+00
      3   0.265931D+01 -0.303606D-01  0.194639D+01  0.101645D+01  0.139983D+00
                91            92            93            94            95 
      1  -0.425669D+00 -0.161834D+01 -0.697117D+00 -0.379099D+00  0.779624D-01
      2   0.396565D+00  0.355420D+00  0.418449D+01  0.483476D+00 -0.912825D+00
      3   0.180829D+00 -0.261281D+01 -0.620210D+00  0.510233D+00 -0.174018D-01
                96            97            98            99           100 
      1  -0.269476D+00  0.177060D+00  0.272763D+01  0.144626D+00  0.454171D+01
      2   0.135139D+01  0.483569D-01  0.893797D+00 -0.549655D+01  0.989155D-01
      3   0.144615D+01 -0.891184D+00  0.281782D+01 -0.273152D+00 -0.880461D+01
               101           102           103           104           105 
      1  -0.431454D+01 -0.235533D+01 -0.644382D+01 -0.645459D+01 -0.445624D+01
      2   0.189776D+00  0.134365D+02  0.271207D+00  0.280199D+01  0.201737D+01
      3   0.672773D+01 -0.397796D+01  0.132524D+02  0.989452D+01  0.190969D+01
               106           107           108           109           110 
      1  -0.161645D+01  0.389027D+00  0.325428D+01  0.141384D+00 -0.623431D+00
      2   0.778089D+01  0.211393D+01 -0.675636D+01 -0.891221D+00 -0.102231D+01
      3  -0.377548D+01  0.319561D+00 -0.419136D+00  0.188543D+01  0.187207D+00
               111           112           113           114           115 
      1  -0.858011D+00 -0.333899D+00 -0.118413D+01 -0.345759D+01  0.559718D-02
      2  -0.128672D-01 -0.132227D+01 -0.142020D+01 -0.190486D+01 -0.312171D+01
      3   0.126154D+01  0.202815D+01  0.651294D+00  0.199563D+01  0.295067D+01
               116           117           118           119           120 
      1  -0.452580D+00 -0.972495D+01  0.269396D+01 -0.202564D+01  0.268172D+01
      2  -0.280591D+01 -0.584359D+01  0.305501D+01 -0.220010D+01  0.312746D+01
      3   0.292396D+01  0.237820D+01 -0.563595D+01 -0.118188D+01 -0.120693D+01
               121           122           123           124           125 
      1  -0.227587D+01  0.270354D+01 -0.378543D+01  0.168396D+01 -0.168686D+01
      2  -0.142765D+01  0.213909D+01 -0.226576D+01  0.857067D+00 -0.225873D+01
      3   0.344723D+01 -0.122254D+00  0.919467D-01 -0.297517D+01 -0.101362D+01
               126           127           128           129           130 
      1   0.226107D+01 -0.224592D+01 -0.178551D+01  0.256746D+01 -0.406231D+00
      2   0.175256D+01  0.695506D+01  0.683128D+00 -0.676000D+01  0.117408D+01
      3   0.101839D+00 -0.896126D+00 -0.377864D+00  0.133340D+01  0.542956D+00
               131           132           133           134           135 
      1  -0.516535D+00  0.354992D+00  0.196551D+01  0.324619D+01 -0.463893D+01
      2   0.175067D+01 -0.822098D+00 -0.838965D+01 -0.330040D+00  0.133769D+02
      3  -0.625334D+00 -0.138035D+01  0.124139D+01 -0.134549D+01 -0.129052D+01
               136           137           138           139           140 
      1  -0.389646D+01  0.323950D+01 -0.729770D+00  0.261726D+01 -0.224847D+01
      2  -0.248308D+01  0.103127D+01  0.360184D+01  0.117355D+01 -0.628685D+00
      3   0.881280D+01 -0.856246D+01  0.234246D+01 -0.545103D+01  0.568534D+01
               141           142           143           144           145 
      1   0.781495D-01 -0.115022D+01  0.162063D+01 -0.117478D+01  0.710620D+00
      2  -0.299326D+01 -0.612259D+00 -0.101553D+01  0.173439D+01 -0.268621D+00
      3  -0.153854D+01  0.214772D+01 -0.111950D+01  0.218193D+01 -0.971799D+00
               146           147           148           149           150 
      1   0.225269D+01 -0.407160D+00  0.212235D+01  0.732298D+01 -0.347789D+01
      2  -0.835695D+00  0.720917D+00 -0.950462D+00 -0.458923D+00  0.355227D+01
      3  -0.444791D+01  0.477947D-01 -0.184569D+01 -0.159759D+02 -0.123215D+01
               151           152           153 
      1   0.303815D+00  0.194432D+00  0.690023D+00
      2  -0.922682D+00  0.153913D+01  0.272732D+00
      3  -0.252155D+00  0.237610D+00 -0.186008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.410261D+00  0.277430D+01  0.517818D+00 -0.364076D+01 -0.486772D+01
      2  -0.497817D+01 -0.160484D+02  0.769388D+00 -0.687497D+01  0.975031D+00
      3   0.456791D+01  0.132741D+02 -0.128721D+01  0.105157D+02  0.389269D+01
      4  -0.596187D+01 -0.141622D+02 -0.359633D+01 -0.649862D+01 -0.153538D+02
      5  -0.306211D+00 -0.221967D+01  0.477873D+00 -0.151778D+01 -0.161586D+01
      6  -0.402689D+01 -0.529977D+00  0.301558D+01 -0.207404D+01 -0.403042D+01
                 6             7             8             9            10 
      1   0.214917D+01  0.496207D+01 -0.469200D+01  0.108973D+02 -0.408618D+02
      2  -0.371381D+01 -0.302324D+01 -0.535296D+01  0.361605D+01  0.207109D+02
      3   0.156464D+01 -0.193883D+01  0.100450D+02 -0.145134D+02  0.201509D+02
      4  -0.148009D+01 -0.777605D+01 -0.465753D+00 -0.338878D+01  0.173520D+02
      5  -0.139518D+01 -0.160864D+00 -0.114394D+01  0.407883D+01  0.950618D+01
      6   0.349352D+01  0.368690D+01 -0.384189D+01  0.153239D+02 -0.450754D+01
                11            12            13            14            15 
      1   0.636817D+01  0.151994D+01  0.155021D+02  0.277353D+00 -0.517790D+01
      2   0.245629D+01 -0.566971D+01 -0.976366D+01 -0.274692D+01  0.184365D+01
      3  -0.882446D+01  0.414976D+01 -0.573844D+01  0.246956D+01  0.333425D+01
      4  -0.118444D+02 -0.248947D+01 -0.248381D+01  0.270922D+01  0.121350D+01
      5  -0.173725D+01 -0.108258D+02 -0.238644D+01  0.203074D+01  0.480812D+01
      6   0.671390D+01  0.351385D+01  0.232060D+01  0.877886D+00 -0.391859D+01
                16            17            18            19            20 
      1   0.103807D+02 -0.432628D+01 -0.713924D+01 -0.213200D+01 -0.300963D+01
      2  -0.505362D+01  0.242068D+01 -0.810759D+00  0.387980D+01  0.158420D+01
      3  -0.532712D+01  0.190560D+01  0.795000D+01 -0.174780D+01  0.142543D+01
      4  -0.189784D+01  0.588307D+01  0.316219D+01 -0.258379D+00  0.291958D+01
      5   0.143759D+01  0.122110D+01  0.749833D+01 -0.406435D+01 -0.118802D+01
      6   0.181059D+01  0.263402D+00  0.510668D+00 -0.368387D+01 -0.288028D+01
                21            22            23            24            25 
      1   0.570036D+01  0.434847D+01  0.742514D+01  0.287572D+01 -0.431786D+00
      2   0.318498D+01 -0.376792D+01 -0.194983D+02 -0.283422D+01  0.195367D+01
      3  -0.888534D+01 -0.580545D+00  0.120731D+02 -0.414948D-01 -0.152189D+01
      4  -0.529002D+00 -0.808236D-01  0.283368D+01 -0.301967D+00 -0.842342D+00
      5   0.727297D+00 -0.148358D+01  0.274333D-02  0.341265D+01  0.287505D+01
      6   0.556735D+01  0.721628D+00 -0.362147D+01  0.341981D+01  0.116175D+01
                26            27            28            29            30 
      1   0.138585D+01  0.182275D+02  0.636035D+00 -0.370680D+01  0.529662D+01
      2  -0.831019D+01  0.463802D+01  0.294463D+01  0.133422D+01 -0.483235D+01
      3   0.692434D+01 -0.228655D+02 -0.358066D+01  0.237258D+01 -0.464267D+00
      4  -0.191858D+01  0.323715D+01 -0.356278D+01  0.183086D+01 -0.156334D+01
      5   0.276334D+01 -0.105736D+02  0.119404D+02  0.119000D+01 -0.173972D+02
      6   0.654501D+00  0.112931D+02  0.259095D+01 -0.168937D+01 -0.441402D+01
                31            32            33            34            35 
      1  -0.669076D+01  0.677533D+01 -0.319522D+01  0.179310D+01 -0.357540D+01
      2   0.464222D+01 -0.400944D+01  0.205007D+01 -0.485001D+01  0.115538D+01
      3   0.204854D+01 -0.276589D+01  0.114516D+01  0.305691D+01  0.242002D+01
      4   0.428604D+01  0.729043D+01  0.392466D+00 -0.458099D+01 -0.244909D+01
      5  -0.669013D+00  0.804434D+00 -0.540835D+01 -0.205969D+02 -0.702465D+01
      6   0.476832D+00 -0.114851D+01 -0.150300D+01 -0.477127D+01 -0.281428D+00
                36            37            38            39            40 
      1  -0.154092D+02 -0.275948D+01  0.134273D+01 -0.324371D+00  0.287050D+01
      2   0.127571D+02 -0.410574D+01  0.956912D+01 -0.144836D+01  0.720949D+01
      3   0.265217D+01  0.686522D+01 -0.109119D+02  0.177273D+01 -0.100800D+02
      4  -0.853939D+01  0.399453D+01 -0.123547D+02  0.808748D+01 -0.106582D+02
      5   0.100846D+02 -0.643224D+01  0.338867D+01  0.166007D+01  0.108796D+01
      6   0.146301D+01  0.567105D+01 -0.426209D+01 -0.326704D+01 -0.364145D+01
                41            42            43            44            45 
      1  -0.580531D+01  0.575517D+01 -0.103588D+01  0.952505D+01  0.140140D+02
      2   0.727321D+01  0.203633D+01 -0.213590D+01  0.226614D+01 -0.538543D+01
      3  -0.146789D+01 -0.779150D+01  0.317179D+01 -0.117912D+02 -0.862861D+01
      4   0.630817D+01 -0.291545D+01  0.121168D+02 -0.259184D+01  0.639042D+01
      5  -0.241033D+01  0.191106D+01  0.266684D+01  0.409879D+01  0.226549D+01
      6   0.202663D+01 -0.922979D+01 -0.984857D+00 -0.112987D+02 -0.190305D+02
                46            47            48            49            50 
      1   0.851227D+02 -0.125810D+02 -0.636221D+01 -0.139868D+02  0.953700D+01
      2  -0.446333D+02  0.302673D+01  0.601288D+01  0.462833D+01  0.607163D+00
      3  -0.404895D+02  0.955426D+01  0.349329D+00  0.935844D+01 -0.101442D+02
      4  -0.252755D+02  0.232221D+02  0.425870D+01  0.238465D+02 -0.155575D+02
      5  -0.116448D+02  0.300433D+01  0.218029D+02  0.408904D+01 -0.406390D+01
      6   0.761942D+01 -0.431668D+01 -0.546990D+01 -0.437271D+01  0.406098D+01
                51            52            53            54            55 
      1   0.179117D+01 -0.800546D+01  0.206438D+01  0.104646D+02 -0.234579D+01
      2  -0.103269D+01  0.657074D+01 -0.201246D+00 -0.108045D+02 -0.550177D+00
      3  -0.758479D+00  0.143472D+01 -0.186313D+01  0.339942D+00  0.289597D+01
      4  -0.508517D+01  0.535721D+01 -0.549148D+01 -0.728122D+01  0.157666D+00
      5  -0.651214D+01  0.228566D+02 -0.662878D+01 -0.121605D+02 -0.216680D+00
      6   0.720848D+01 -0.581216D+01  0.785321D+01  0.382619D+01 -0.253524D+01
                56            57            58            59            60 
      1   0.709801D+00 -0.169816D+01 -0.955114D-02 -0.455947D+01  0.316061D+01
      2   0.775188D+00  0.407834D+00  0.820145D+00  0.354384D+01 -0.355162D+01
      3  -0.148499D+01  0.129032D+01 -0.810594D+00  0.101563D+01  0.391006D+00
      4   0.445507D+01 -0.219033D+01  0.209039D+01  0.255951D+01 -0.940478D+00
      5  -0.104152D+01  0.466953D+01  0.407973D+00 -0.419875D+00 -0.334739D+00
      6  -0.239207D-01 -0.185959D+01 -0.101920D+00 -0.430362D+01  0.647287D+01
                61            62            63            64            65 
      1  -0.337841D+01  0.910987D+01 -0.193001D+02  0.785442D+01 -0.520144D+00
      2   0.151891D+01 -0.332149D+01 -0.827397D+01  0.448075D+01  0.127312D+02
      3   0.185950D+01 -0.578839D+01  0.275741D+02 -0.123352D+02 -0.122111D+02
      4  -0.275488D+01 -0.320563D+01  0.465145D+01  0.201100D+02  0.229438D+02
      5   0.480377D+01  0.203259D+01 -0.754125D+01  0.111763D+01  0.661309D+00
      6  -0.253186D+00  0.119329D+02 -0.237892D+02  0.111779D+01  0.431380D+00
                66            67            68            69            70 
      1   0.453178D+00 -0.228144D+00 -0.894451D+01  0.474904D-01  0.833777D+00
      2   0.988481D-01  0.100741D+02  0.255865D+02  0.166245D+01  0.833127D+00
      3  -0.552026D+00 -0.984598D+01 -0.166420D+02 -0.170994D+01 -0.166690D+01
      4   0.107494D+01  0.166221D+02  0.237555D+02  0.153263D+01  0.486903D+01
      5   0.393602D+01  0.708772D+00  0.223707D+01  0.232575D+01  0.332743D+01
      6   0.316702D+01  0.355798D+00  0.126611D+01  0.517254D+01  0.301132D+01
                71            72            73            74            75 
      1  -0.438580D+00 -0.286000D+01  0.239998D+00  0.234366D+01 -0.392473D+01
      2   0.496979D+01  0.246438D+01 -0.402276D+01 -0.583478D+00 -0.299744D+01
      3  -0.453121D+01  0.395625D+00  0.378276D+01 -0.176018D+01  0.692216D+01
      4   0.457484D+01  0.508539D+01 -0.151065D+01  0.297972D+01 -0.372387D+01
      5   0.388927D+01  0.167850D+01  0.499543D+01 -0.218646D+01  0.912463D+01
      6   0.691134D+01  0.614994D+00 -0.258350D+01  0.302334D+01 -0.504264D+01
                76            77            78            79            80 
      1   0.203784D+00 -0.599894D+01  0.235440D+01 -0.128137D+01  0.681067D+01
      2   0.552663D+00  0.368194D+01 -0.322168D+01 -0.247235D+01 -0.791463D+00
      3  -0.756447D+00  0.231699D+01  0.867287D+00  0.375371D+01 -0.601920D+01
      4   0.113484D+01 -0.469800D+00  0.126293D+01 -0.398787D+01  0.206089D+01
      5   0.345781D+00  0.144139D+01 -0.192267D+00  0.652481D+01 -0.228778D+01
      6   0.130105D+01 -0.347608D+01  0.653920D+01 -0.266875D+01  0.100239D+02
                81            82            83            84            85 
      1  -0.260919D+02  0.173628D+00  0.345994D+00 -0.101208D+01 -0.136357D+01
      2  -0.135627D+02  0.296533D+01 -0.867210D+00  0.481943D+00  0.136681D+01
      3   0.396545D+02 -0.313896D+01  0.521217D+00  0.530137D+00 -0.324172D-02
      4  -0.322703D+01 -0.143238D+00  0.784619D+01  0.538729D+00  0.662690D+01
      5   0.114396D+02 -0.580047D+00 -0.107312D+01  0.183774D+01 -0.356981D+00
      6  -0.202359D+02  0.677918D+00  0.448767D+00 -0.270538D+00  0.454955D+00
                86            87            88            89            90 
      1  -0.240799D+02  0.628673D+00 -0.299254D+00 -0.353188D+01 -0.532980D+01
      2   0.428124D+02  0.183919D+01  0.563344D-01  0.841394D+01  0.346861D+01
      3  -0.187325D+02 -0.246787D+01  0.242920D+00 -0.488206D+01  0.186119D+01
      4  -0.160198D+01  0.333937D-01  0.237082D+01 -0.126102D+01 -0.192852D+00
      5   0.289651D+00 -0.547449D+00  0.745685D+00 -0.120679D+00  0.704377D+00
      6  -0.375763D+01  0.631884D+01  0.176808D+00  0.599578D+01  0.767320D+00
                91            92            93            94            95 
      1   0.167099D+02  0.227233D+01 -0.769178D+01  0.236267D+01  0.159442D+00
      2  -0.146255D+02 -0.187852D+01  0.965927D+01 -0.148042D+01  0.223190D-01
      3  -0.208439D+01 -0.393810D+00 -0.196749D+01 -0.882241D+00 -0.181761D+00
      4   0.505950D+01  0.513216D+01 -0.201386D+01  0.544625D+01  0.128257D+01
      5  -0.200289D+02 -0.224046D+01  0.198780D+02 -0.197896D+01 -0.539169D+01
      6  -0.278542D+01 -0.249619D+01  0.335496D+01 -0.273828D+01 -0.198746D+01
                96            97            98            99           100 
      1   0.612670D-01 -0.697039D+01 -0.667545D-03  0.216938D+01 -0.175623D+02
      2   0.120063D+00  0.114243D+02  0.110755D+01 -0.154134D+02  0.113658D+02
      3  -0.181330D+00 -0.445389D+01 -0.110688D+01  0.132440D+02  0.619648D+01
      4  -0.401179D+01 -0.237874D+01 -0.351451D+01  0.306413D+01  0.114901D+02
      5   0.310619D+01  0.208467D+02  0.347498D+01 -0.260699D+02 -0.105614D+02
      6   0.544716D+01  0.289477D+01  0.494556D+01 -0.513465D+01  0.345105D+01
               101           102           103           104           105 
      1   0.156639D+02 -0.156100D+02  0.202539D+02 -0.101905D+02  0.465167D+01
      2  -0.141037D+02 -0.193624D+00 -0.185703D+02 -0.938547D+01 -0.554466D+01
      3  -0.156017D+01  0.158037D+02 -0.168361D+01  0.195760D+02  0.892988D+00
      4  -0.108345D+02  0.287743D+01 -0.160825D+02 -0.257325D+02 -0.161504D+01
      5   0.703953D+01  0.804951D+01  0.881988D+01 -0.404345D+01  0.566272D+01
      6  -0.340719D+01  0.605756D+01 -0.466670D+01 -0.535965D+01  0.237675D+01
               106           107           108           109           110 
      1  -0.121027D+02  0.425227D+01  0.183070D+02 -0.136666D+01 -0.272256D+01
      2   0.126446D+00 -0.383448D+01 -0.462163D+01  0.245660D+00  0.107491D+01
      3   0.119762D+02 -0.417795D+00 -0.136853D+02  0.112100D+01  0.164765D+01
      4   0.455222D+01  0.214951D+01  0.105376D+02 -0.215533D+00  0.454609D+01
      5   0.100177D+02  0.654134D+01  0.337351D+01  0.521133D+00  0.164867D+01
      6   0.669113D+01  0.200924D+01  0.558958D+00  0.334614D+01  0.235496D+01
               111           112           113           114           115 
      1  -0.264380D+01 -0.655461D+00 -0.910595D+01 -0.868972D+01 -0.201095D+01
      2   0.119378D+01 -0.584756D+00  0.810444D+01  0.554931D+01  0.116064D+01
      3   0.145003D+01  0.124022D+01  0.100151D+01  0.314041D+01  0.850312D+00
      4   0.235791D+01  0.424021D+01 -0.336894D+01 -0.212651D+01  0.343823D+01
      5   0.459172D+01  0.116498D+01 -0.176924D+01 -0.196183D+01  0.450098D+01
      6   0.325004D+01  0.473040D+00  0.118180D+02  0.140175D+02 -0.470592D+00
               116           117           118           119           120 
      1  -0.127273D+02 -0.207900D+02  0.101766D+02 -0.106920D+01  0.184071D+01
      2   0.674440D+01 -0.141078D+01  0.297813D+01 -0.996628D+01  0.792555D+00
      3   0.598295D+01  0.222008D+02 -0.131547D+02  0.110355D+02 -0.263327D+01
      4  -0.445173D+01 -0.516321D+01 -0.206695D+02  0.193766D+02 -0.507335D+01
      5  -0.390808D+01 -0.708906D+01  0.364368D+01 -0.194156D+01  0.442846D+01
      6   0.183353D+02  0.288916D+02 -0.344158D+01  0.186506D+01 -0.380925D+01
               121           122           123           124           125 
      1  -0.127510D+01 -0.405312D+01  0.239998D-01  0.221008D+01  0.888272D+00
      2  -0.840622D+01  0.170173D+02 -0.348235D+01  0.143303D+01 -0.665087D+01
      3   0.968132D+01 -0.129642D+02  0.345835D+01 -0.364311D+01  0.576259D+01
      4   0.162563D+02 -0.189182D+02  0.393343D+01 -0.841858D+01  0.798491D+01
      5  -0.169348D+01  0.222759D+01 -0.269377D+01  0.479399D+01 -0.392044D+01
      6   0.177817D+01 -0.351645D+01  0.615456D+01 -0.382815D+01  0.704354D+01
               126           127           128           129           130 
      1  -0.171243D+01 -0.532276D+01 -0.118853D+01  0.107559D+02 -0.281772D+01
      2   0.239533D+01 -0.614014D+00  0.602660D+00  0.185550D+01  0.207066D+01
      3  -0.682908D+00  0.593677D+01  0.585869D+00 -0.126114D+02  0.747060D+00
      4  -0.599255D+01 -0.388892D+01 -0.518648D-01  0.124673D+01  0.216243D+01
      5   0.370228D+01 -0.224933D+01 -0.133808D+01 -0.267838D+01 -0.132328D+01
      6  -0.302251D+01  0.651336D+00 -0.254603D+01 -0.391603D+01 -0.827516D+00
               131           132           133           134           135 
      1  -0.198670D+01 -0.389095D+00  0.106890D+02 -0.102236D+01 -0.197803D+02
      2   0.138844D+01  0.191651D+01 -0.964674D+00  0.145670D+01 -0.869799D+01
      3   0.598257D+00 -0.152741D+01 -0.972428D+01 -0.434340D+00  0.284783D+02
      4   0.212489D+01  0.179517D+01  0.237705D+01  0.266113D+01 -0.273549D+01
      5   0.132745D+01 -0.144608D+01  0.277488D+01  0.101810D+00  0.109195D+02
      6   0.879101D+00  0.371845D+01 -0.157670D+01  0.465406D+01  0.642866D+01
               136           137           138           139           140 
      1   0.487797D+02 -0.129344D+02  0.940890D+01 -0.212707D+02  0.970241D+01
      2  -0.284867D+02  0.846721D+01 -0.777148D+01  0.126486D+02 -0.317916D+01
      3  -0.202930D+02  0.446718D+01 -0.163742D+01  0.862214D+01 -0.652324D+01
      4  -0.821928D+01  0.115979D+02 -0.157350D+01  0.116537D+02 -0.820997D+01
      5   0.192659D+02 -0.498874D+01  0.118829D+02 -0.961823D+01  0.465528D+01
      6  -0.317682D+01  0.410700D+01 -0.111154D+01  0.398615D+01 -0.319560D+01
               141           142           143           144           145 
      1  -0.403626D+01  0.630266D+01 -0.170387D+01  0.389421D+01  0.891114D+01
      2   0.443221D+01 -0.572480D+01  0.237043D+01 -0.557370D+01 -0.886547D+00
      3  -0.395951D+00 -0.577861D+00 -0.666562D+00  0.167949D+01 -0.802459D+01
      4   0.260090D+01 -0.141192D+01  0.880254D+00 -0.327828D+01  0.104988D+02
      5  -0.754934D+01  0.102889D+02 -0.446330D+01  0.601635D+01  0.354751D+01
      6   0.175813D+01 -0.154685D+01  0.196476D+01 -0.642130D+00  0.161519D+01
               146           147           148           149           150 
      1   0.452073D+01  0.171230D+01  0.709247D+01 -0.289664D+01 -0.107039D+01
      2   0.252119D+01 -0.513291D+00  0.404457D+01  0.250310D+02  0.497649D-01
      3  -0.704193D+01 -0.119901D+01 -0.111370D+02 -0.221344D+02  0.102062D+01
      4   0.153159D+02  0.900011D+00  0.214360D+02  0.393058D+02  0.416598D+01
      5   0.161125D+01  0.256184D+01  0.440335D+01  0.469800D+01  0.681465D+01
      6   0.320733D+01  0.123419D+01  0.500829D+01  0.120571D+02  0.728072D+01
               151           152           153 
      1  -0.624482D+00 -0.107722D+01 -0.271240D+01
      2   0.178141D+00 -0.150159D+01  0.206393D+01
      3   0.446341D+00  0.257881D+01  0.648469D+00
      4  -0.103213D+01 -0.844965D+00  0.367048D+01
      5   0.229462D+01  0.433147D+01  0.126959D+00
      6   0.143628D+01  0.575270D+01  0.765422D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:02:55 2021, MaxMem= 10737418240 cpu:            5745.7 elap:             359.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25501 -10.39002 -10.31476 -10.30637 -10.30605
 Alpha  occ. eigenvalues --  -10.30464 -10.29675  -1.13800  -0.94915  -0.84236
 Alpha  occ. eigenvalues --   -0.80972  -0.75554  -0.66122  -0.62688  -0.58734
 Alpha  occ. eigenvalues --   -0.56422  -0.53654  -0.51559  -0.50537  -0.49367
 Alpha  occ. eigenvalues --   -0.48485  -0.46636  -0.43635  -0.42474  -0.41904
 Alpha  occ. eigenvalues --   -0.41525  -0.32947
 Alpha virt. eigenvalues --    0.04686   0.08061   0.10810   0.11080   0.11433
 Alpha virt. eigenvalues --    0.13969   0.14140   0.15594   0.16252   0.16507
 Alpha virt. eigenvalues --    0.18379   0.18991   0.19878   0.20495   0.21217
 Alpha virt. eigenvalues --    0.22221   0.22973   0.23796   0.25349   0.26348
 Alpha virt. eigenvalues --    0.26665   0.27362   0.28199   0.29207   0.30077
 Alpha virt. eigenvalues --    0.30407   0.32134   0.33228   0.34733   0.35725
 Alpha virt. eigenvalues --    0.36016   0.36819   0.37576   0.37962   0.38432
 Alpha virt. eigenvalues --    0.40148   0.40564   0.41272   0.41909   0.42606
 Alpha virt. eigenvalues --    0.43052   0.43425   0.43956   0.44351   0.45098
 Alpha virt. eigenvalues --    0.45265   0.45943   0.46945   0.47545   0.48650
 Alpha virt. eigenvalues --    0.49352   0.49791   0.50522   0.52561   0.52818
 Alpha virt. eigenvalues --    0.52944   0.53783   0.53999   0.55018   0.55410
 Alpha virt. eigenvalues --    0.56450   0.56603   0.57248   0.57870   0.59104
 Alpha virt. eigenvalues --    0.59530   0.60721   0.62058   0.62438   0.62897
 Alpha virt. eigenvalues --    0.63324   0.64032   0.64611   0.65032   0.65377
 Alpha virt. eigenvalues --    0.67208   0.67853   0.69228   0.69504   0.71199
 Alpha virt. eigenvalues --    0.72431   0.74530   0.75484   0.75959   0.76581
 Alpha virt. eigenvalues --    0.79651   0.80764   0.82512   0.83901   0.86264
 Alpha virt. eigenvalues --    0.88593   0.91156   0.92468   0.95892   0.97114
 Alpha virt. eigenvalues --    1.01405   1.01932   1.03631   1.04663   1.06888
 Alpha virt. eigenvalues --    1.07973   1.09403   1.09678   1.10101   1.10798
 Alpha virt. eigenvalues --    1.12418   1.13343   1.13962   1.15800   1.18190
 Alpha virt. eigenvalues --    1.19459   1.21528   1.23267   1.25624   1.27641
 Alpha virt. eigenvalues --    1.28816   1.34277   1.35903   1.37347   1.37881
 Alpha virt. eigenvalues --    1.40878   1.45355   1.45763   1.50092   1.52941
 Alpha virt. eigenvalues --    1.54763   1.59203   1.66796   1.69237   1.71784
 Alpha virt. eigenvalues --    1.73465   1.76263   1.80455   1.80895   1.82299
 Alpha virt. eigenvalues --    1.84666   1.85679   1.88478   1.90323   1.91723
 Alpha virt. eigenvalues --    1.92971   1.93746   1.95849   1.98291   1.99042
 Alpha virt. eigenvalues --    2.00813   2.02546   2.07133   2.07885   2.09378
 Alpha virt. eigenvalues --    2.11229   2.12764   2.15922   2.16838   2.20318
 Alpha virt. eigenvalues --    2.21549   2.23683   2.25759   2.26694   2.29330
 Alpha virt. eigenvalues --    2.31862   2.35797   2.38016   2.39778   2.43193
 Alpha virt. eigenvalues --    2.47839   2.50865   2.53031   2.56478   2.59324
 Alpha virt. eigenvalues --    2.61926   2.63736   2.66439   2.68750   2.70399
 Alpha virt. eigenvalues --    2.75374   2.77110   2.82607   2.82813   2.91378
 Alpha virt. eigenvalues --    2.95921   2.97868   3.02131   3.04966   3.10731
 Alpha virt. eigenvalues --    3.12165   3.15120   3.16679   3.22094   3.23048
 Alpha virt. eigenvalues --    3.23757   3.27238   3.31580   3.34625   3.55146
 Alpha virt. eigenvalues --    3.92622
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.841708   0.383226  -0.310498   0.033666   0.306727  -0.040228
     2  C    0.383226   5.033839   0.206915   0.014740  -0.013968   0.269757
     3  C   -0.310498   0.206915   4.970459   0.214750   0.005653   0.029668
     4  C    0.033666   0.014740   0.214750   5.453909   0.250676  -0.021158
     5  C    0.306727  -0.013968   0.005653   0.250676   4.450660  -0.004140
     6  O   -0.040228   0.269757   0.029668  -0.021158  -0.004140   8.215270
     7  H    0.229252   0.041496  -0.005430   0.049569   0.015582  -0.019592
     8  H    0.297878   0.061191   0.005326  -0.009726  -0.013982  -0.009915
     9  H   -0.007136   0.043986   0.243533   0.024576   0.014578  -0.029112
    10  H    0.008875   0.055591   0.237853  -0.028842   0.006774  -0.012223
    11  H   -0.001127   0.017645  -0.000640   0.161246   0.023102  -0.001428
    12  C    0.014210  -0.005662  -0.048464   0.464318  -0.036243  -0.001406
    13  H   -0.030055   0.004673   0.028681  -0.005183   0.362013   0.001539
    14  H    0.034571   0.005057   0.009629   0.051081   0.225394   0.000733
    15  H    0.013698   0.017111  -0.021137   0.120693  -0.020423  -0.001236
    16  H   -0.008208  -0.007003   0.018942   0.091050  -0.020025   0.000597
    17  H   -0.000002  -0.005209  -0.010560   0.100445   0.008593  -0.000047
               7          8          9         10         11         12
     1  C    0.229252   0.297878  -0.007136   0.008875  -0.001127   0.014210
     2  C    0.041496   0.061191   0.043986   0.055591   0.017645  -0.005662
     3  C   -0.005430   0.005326   0.243533   0.237853  -0.000640  -0.048464
     4  C    0.049569  -0.009726   0.024576  -0.028842   0.161246   0.464318
     5  C    0.015582  -0.013982   0.014578   0.006774   0.023102  -0.036243
     6  O   -0.019592  -0.009915  -0.029112  -0.012223  -0.001428  -0.001406
     7  H    0.669597  -0.050751   0.004606  -0.001570  -0.010292  -0.000418
     8  H   -0.050751   0.819952  -0.001197   0.000318   0.002743   0.001756
     9  H    0.004606  -0.001197   0.647753  -0.030064  -0.033495   0.007701
    10  H   -0.001570   0.000318  -0.030064   0.798441   0.056270  -0.034437
    11  H   -0.010292   0.002743  -0.033495   0.056270   1.185274  -0.029781
    12  C   -0.000418   0.001756   0.007701  -0.034437  -0.029781   4.095716
    13  H    0.022911  -0.063745   0.007910  -0.000650  -0.071751   0.012999
    14  H   -0.064502   0.057277  -0.003855  -0.000310   0.061275  -0.047476
    15  H    0.004104  -0.001444  -0.003859  -0.004148   0.003589   0.303331
    16  H   -0.000597   0.000716  -0.002164  -0.001588   0.000725   0.246340
    17  H    0.000288   0.000226   0.004165  -0.003166  -0.004539   0.254215
              13         14         15         16         17
     1  C   -0.030055   0.034571   0.013698  -0.008208  -0.000002
     2  C    0.004673   0.005057   0.017111  -0.007003  -0.005209
     3  C    0.028681   0.009629  -0.021137   0.018942  -0.010560
     4  C   -0.005183   0.051081   0.120693   0.091050   0.100445
     5  C    0.362013   0.225394  -0.020423  -0.020025   0.008593
     6  O    0.001539   0.000733  -0.001236   0.000597  -0.000047
     7  H    0.022911  -0.064502   0.004104  -0.000597   0.000288
     8  H   -0.063745   0.057277  -0.001444   0.000716   0.000226
     9  H    0.007910  -0.003855  -0.003859  -0.002164   0.004165
    10  H   -0.000650  -0.000310  -0.004148  -0.001588  -0.003166
    11  H   -0.071751   0.061275   0.003589   0.000725  -0.004539
    12  C    0.012999  -0.047476   0.303331   0.246340   0.254215
    13  H    0.879370  -0.152560  -0.002608   0.003725  -0.001882
    14  H   -0.152560   0.976921  -0.011207   0.019181  -0.000473
    15  H   -0.002608  -0.011207   0.607585   0.015006   0.017013
    16  H    0.003725   0.019181   0.015006   0.721889  -0.086273
    17  H   -0.001882  -0.000473   0.017013  -0.086273   0.702782
 Mulliken charges:
               1
     1  C    0.233442
     2  C   -0.123385
     3  C    0.425318
     4  C   -0.965811
     5  C    0.439030
     6  O   -0.377078
     7  H    0.115747
     8  H   -0.096622
     9  H    0.112075
    10  H   -0.047123
    11  H   -0.358817
    12  C    0.803301
    13  H    0.004613
    14  H   -0.160735
    15  H   -0.036067
    16  H    0.007685
    17  H    0.024425
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.252568
     2  C   -0.123385
     3  C    0.490271
     4  C   -1.324628
     5  C    0.282908
     6  O   -0.377078
    12  C    0.799344
 Electronic spatial extent (au):  <R**2>=            753.0474
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.1140    Y=              1.0298    Z=              0.8191  Tot=              3.3806
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.3054   YY=            -42.5307   ZZ=            -42.1595
   XY=              3.0222   XZ=              1.8111   YZ=             -0.7068
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.6402   YY=              3.1345   ZZ=              3.5057
   XY=              3.0222   XZ=              1.8111   YZ=             -0.7068
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.8408  YYY=             -1.7653  ZZZ=              0.9241  XYY=              1.0171
  XXY=              7.4407  XXZ=              4.7187  XZZ=              2.6627  YZZ=              0.1761
  YYZ=             -0.0288  XYZ=             -0.2911
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -611.4026 YYYY=           -280.2808 ZZZZ=           -151.8537 XXXY=             10.9864
 XXXZ=              8.4753 YYYX=              3.1775 YYYZ=              0.8360 ZZZX=             -3.6293
 ZZZY=             -1.7716 XXYY=           -140.9286 XXZZ=           -120.7782 YYZZ=            -74.3701
 XXYZ=             -2.5497 YYXZ=              0.8473 ZZXY=             -1.8375
 N-N= 3.097930571877D+02 E-N=-1.337783789392D+03  KE= 3.060544112256D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:02:56 2021, MaxMem= 10737418240 cpu:               4.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.16023980D+00 3.83638416D-01 3.11601665D-01
 Polarizability= 7.65775188D+01-6.64074882D-01 7.04326567D+01
                -1.24347565D+00-1.39431419D+00 6.23398858D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.7734    0.7730       -0.5206   -0.5215
 2     -0.7734   -0.7730        0.7058    0.7056       -3.5416   -3.5397
 3      0.5206    0.5215        7.6371    7.6353       -0.7055   -0.7056
 4     -0.7058   -0.7056        0.0000    0.0000        0.5211    0.5215
 5     -4.0956   -4.0955       -0.5211   -0.5215        0.7731    0.7730
 6      0.7055    0.7056       -0.7731   -0.7730        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.3191   -2.3191       -1.5645   -1.5645
 2     -2.1167   -2.1167        0.0000    0.0000       -1.5645   -1.5645
 3     -2.1167   -2.1167       -2.3191   -2.3191        0.0000    0.0000
 4     -2.3191   -2.3191        2.1167    2.1167      -10.6192  -10.6192
 5      1.5645    1.5645       22.9058   22.9058       -2.1167   -2.1167
 6    -12.2866  -12.2866       -1.5645   -1.5645        2.3191    2.3191
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0436    0.0000       -2.7851   -3.0922        2.5234    2.0859
 2      2.8817    3.0922       -2.9887   -2.8222       14.2433   14.1590
 3     -2.2705   -2.0859      -30.6515  -30.5411        2.7554    2.8222
 4      2.7481    2.8222        0.1542    0.0000       -1.6936   -2.0859
 5     16.3176   16.3821        2.1359    2.0859       -3.2884   -3.0922
 6     -2.9310   -2.8222        3.2750    3.0922        0.0542    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3829    0.0000        4.0179    3.5655        8.4640    8.4217
 2     -3.3239   -3.5655       -4.2085   -3.4749       10.8831   11.0466
 3     -8.7222   -8.4217       -0.9805   -0.9954        3.6364    3.4749
 4      3.4623    3.4749        0.0263    0.0000       -8.4645   -8.4217
 5    -10.2242  -10.0512        8.5465    8.4217        3.5211    3.5655
 6     -3.3919   -3.4749       -3.4994   -3.5655       -0.0949    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.2085    1.0892       13.8126   13.9634      -23.0863  -22.8206
 2      8.9511    8.9137       18.1482   18.2828      -22.9931  -22.8206
 3      9.0518    8.9137       13.6865   13.9634      -33.5040  -33.2627
 4     -4.4019   -4.3194       -7.5786   -7.8245       19.7515   19.7591
 5    -10.5643  -10.4420        6.9138    7.0035        7.9131    7.8245
 6    -26.8385  -26.7626       10.2088   10.4420        4.6691    4.3194
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.9892   -0.0007    0.0003    0.0005    3.4494    4.9981
 Low frequencies ---   73.8145  173.4091  235.9158
 Diagonal vibrational polarizability:
        6.1916488       7.5430927      17.3727184
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     73.8086               173.4075               235.9153
 Red. masses --      3.3753                 2.0610                 1.0418
 Frc consts  --      0.0108                 0.0365                 0.0342
 IR Inten    --      4.6450                 0.6364                 0.1012
 RamAct Fr= 1--      1.0473                 0.5768                 0.0433
  Dep-P Fr= 1--      0.7406                 0.6511                 0.6966
  Dep-U Fr= 1--      0.8510                 0.7887                 0.8211
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1485                 0.0758                 0.0059
 AlphaG Fr= 1--      0.0002                -0.0021                 0.0006
 Gamma2 Fr= 1--      0.1450                -0.0268                -0.0152
 Delta2 Fr= 1--     -0.1092                 0.0569                 0.0098
 Raman1 Fr= 1--       4.189                  2.307                  0.173
 ROA1   Fr= 1--      10.429                 -0.756                 -1.146
 CID1   Fr= 1--       2.489                 -0.328                 -6.617
 Raman2 Fr= 1--       1.783                  0.910                  0.071
 ROA2   Fr= 1--       4.355                 -1.099                 -0.444
 CID2   Fr= 1--       2.443                 -1.208                 -6.244
 Raman3 Fr= 1--       3.565                  1.820                  0.142
 ROA3   Fr= 1--      10.429                 -0.756                 -1.146
 CID3   Fr= 1--       2.925                 -0.416                 -8.059
 RC180  Fr= 1--       0.702                  0.577                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06  -0.13     0.12   0.07   0.14    -0.01  -0.02  -0.02
     2   6     0.04   0.00  -0.02     0.04   0.01   0.02     0.00  -0.01   0.00
     3   6    -0.01  -0.08  -0.17     0.00  -0.00  -0.07     0.01   0.01   0.02
     4   6     0.01  -0.01  -0.00     0.00   0.00  -0.03     0.00  -0.00   0.00
     5   6     0.05  -0.03  -0.01    -0.03   0.02  -0.12    -0.00  -0.00  -0.01
     6   8     0.14   0.10   0.22     0.02  -0.02  -0.02    -0.00  -0.02   0.01
     7   1    -0.16  -0.22  -0.13     0.38   0.27   0.12    -0.01  -0.04  -0.02
     8   1    -0.03   0.01  -0.32     0.08  -0.00   0.43    -0.01  -0.01  -0.04
     9   1     0.01  -0.33  -0.18    -0.01  -0.08  -0.06    -0.00   0.06   0.03
    10   1    -0.05  -0.02  -0.38    -0.00   0.02  -0.13     0.02  -0.00   0.07
    11   1     0.11  -0.01   0.08     0.07   0.05   0.03     0.00  -0.02  -0.00
    12   6    -0.19   0.07   0.08    -0.13  -0.08   0.08     0.00   0.03  -0.01
    13   1     0.16  -0.05  -0.02    -0.27   0.16  -0.14    -0.00   0.02  -0.02
    14   1     0.02   0.01   0.08     0.02  -0.08  -0.34    -0.01  -0.01  -0.02
    15   1    -0.31   0.07  -0.00    -0.26  -0.05  -0.01    -0.19   0.58  -0.08
    16   1    -0.19   0.12   0.23    -0.20  -0.16   0.19    -0.29  -0.32   0.31
    17   1    -0.24   0.08   0.09    -0.04  -0.10   0.15     0.48  -0.12  -0.27
                      4                      5                      6
                      A                      A                      A
 Frequencies --    350.5216               367.8091               460.1283
 Red. masses --      2.0769                 1.9011                 2.4824
 Frc consts  --      0.1503                 0.1515                 0.3097
 IR Inten    --      0.8386                 0.6952                 2.8322
 RamAct Fr= 1--      0.6574                 0.8544                 0.6420
  Dep-P Fr= 1--      0.6309                 0.1769                 0.7387
  Dep-U Fr= 1--      0.7737                 0.3006                 0.8497
 Alpha2 Fr= 1--      0.0014                 0.0123                 0.0001
 Beta2  Fr= 1--      0.0848                 0.0428                 0.0909
 AlphaG Fr= 1--     -0.0074                 0.0107                -0.0008
 Gamma2 Fr= 1--     -0.1916                -0.0139                 1.2721
 Delta2 Fr= 1--     -0.0957                 0.0342                 0.0935
 Raman1 Fr= 1--       2.630                  3.418                  2.568
 ROA1   Fr= 1--     -21.458                 -0.240                125.112
 CID1   Fr= 1--      -8.160                 -0.070                 48.722
 Raman2 Fr= 1--       1.017                  0.514                  1.091
 ROA2   Fr= 1--      -3.833                 -0.607                 29.783
 CID2   Fr= 1--      -3.768                 -1.182                 27.300
 Raman3 Fr= 1--       2.035                  1.027                  2.182
 ROA3   Fr= 1--     -21.458                 -0.240                125.112
 CID3   Fr= 1--     -10.547                 -0.233                 57.341
 RC180  Fr= 1--       0.547                 -0.399                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01    -0.04  -0.03  -0.01     0.03  -0.08   0.04
     2   6     0.06  -0.01   0.04    -0.03  -0.03   0.01     0.07   0.03   0.24
     3   6     0.08   0.01   0.12    -0.00  -0.09  -0.03    -0.04  -0.06   0.06
     4   6     0.01  -0.09  -0.02     0.03  -0.00   0.13    -0.01   0.05  -0.05
     5   6    -0.06  -0.09  -0.07    -0.08   0.02  -0.10     0.05   0.04  -0.01
     6   8     0.05   0.03  -0.05    -0.02   0.02  -0.01    -0.02   0.09  -0.15
     7   1     0.05  -0.08   0.00     0.06  -0.02  -0.02    -0.07  -0.56   0.02
     8   1    -0.07  -0.01   0.04    -0.04  -0.05   0.05    -0.01   0.09  -0.36
     9   1    -0.00   0.30   0.15     0.09  -0.40  -0.06    -0.27  -0.42   0.12
    10   1     0.20  -0.08   0.38    -0.11  -0.00  -0.30    -0.06   0.04  -0.27
    11   1     0.01  -0.11  -0.02     0.03   0.00   0.13    -0.05   0.10  -0.07
    12   6    -0.10   0.15  -0.04     0.13   0.10   0.06    -0.03  -0.03  -0.03
    13   1    -0.16   0.02  -0.09    -0.23   0.34  -0.20     0.03   0.02  -0.00
    14   1    -0.07  -0.19  -0.18    -0.12  -0.22  -0.36     0.11   0.09  -0.04
    15   1    -0.14   0.13  -0.07     0.26   0.18   0.17    -0.08  -0.05  -0.07
    16   1     0.05   0.42   0.11     0.19   0.16  -0.01    -0.08  -0.10  -0.02
    17   1    -0.39   0.22  -0.19     0.10   0.10  -0.10     0.04  -0.04   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    476.2593               584.2538               671.7618
 Red. masses --      3.3336                 3.3245                 2.5949
 Frc consts  --      0.4455                 0.6686                 0.6899
 IR Inten    --      5.2865                 4.3026                 3.0134
 RamAct Fr= 1--      1.4609                 3.2010                 2.2274
  Dep-P Fr= 1--      0.7500                 0.2333                 0.1181
  Dep-U Fr= 1--      0.8571                 0.3783                 0.2113
 Alpha2 Fr= 1--      0.0000                 0.0397                 0.0373
 Beta2  Fr= 1--      0.2087                 0.2018                 0.0784
 AlphaG Fr= 1--     -0.0001                -0.1322                -0.0454
 Gamma2 Fr= 1--     -1.3298                -0.7863                 0.4179
 Delta2 Fr= 1--      0.0602                 0.1076                 0.0477
 Raman1 Fr= 1--       5.844                 12.804                  8.910
 ROA1   Fr= 1--    -125.738                -72.043                 41.648
 CID1   Fr= 1--     -21.517                 -5.627                  4.675
 Raman2 Fr= 1--       2.504                  2.422                  0.941
 ROA2   Fr= 1--     -32.397                -19.733                  9.649
 CID2   Fr= 1--     -12.936                 -8.147                 10.253
 Raman3 Fr= 1--       5.009                  4.844                  1.882
 ROA3   Fr= 1--    -125.738                -72.043                 41.648
 CID3   Fr= 1--     -25.103                -14.872                 22.128
 RC180  Fr= 1--       0.714                 -0.243                 -0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.15   0.03    -0.08  -0.08   0.13    -0.03  -0.03   0.09
     2   6    -0.09  -0.16  -0.12     0.15  -0.10  -0.07    -0.14  -0.07  -0.02
     3   6    -0.13  -0.08   0.06    -0.02   0.07  -0.09     0.09  -0.08  -0.04
     4   6    -0.07   0.06   0.02    -0.08   0.11   0.01     0.20   0.01  -0.12
     5   6     0.08   0.01  -0.01    -0.16   0.10   0.10     0.01   0.14   0.04
     6   8     0.08   0.25  -0.03     0.20  -0.08  -0.04    -0.10   0.04   0.05
     7   1     0.20   0.17   0.03    -0.37  -0.30   0.14    -0.27  -0.20   0.10
     8   1     0.24  -0.41   0.30    -0.11   0.07  -0.25     0.18  -0.12  -0.22
     9   1    -0.02   0.20   0.04     0.04   0.26  -0.10     0.14   0.20  -0.04
    10   1    -0.31  -0.17   0.37    -0.20  -0.01   0.16     0.10  -0.15   0.19
    11   1    -0.12   0.15   0.00    -0.04  -0.06   0.02     0.17  -0.09  -0.16
    12   6     0.01  -0.02   0.01    -0.00  -0.00  -0.01     0.02  -0.00  -0.02
    13   1     0.11  -0.00  -0.01    -0.37   0.26   0.07    -0.25   0.27   0.03
    14   1     0.16   0.09  -0.02    -0.04   0.03  -0.19     0.02  -0.05  -0.21
    15   1     0.06   0.01   0.05     0.08  -0.08   0.04    -0.27  -0.15  -0.25
    16   1    -0.04  -0.11  -0.08    -0.04  -0.12  -0.17    -0.01   0.02   0.24
    17   1     0.11  -0.04   0.03     0.10  -0.02   0.11    -0.04   0.03   0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    737.4651               795.4766               814.7672
 Red. masses --      2.2570                 2.7881                 2.3470
 Frc consts  --      0.7232                 1.0395                 0.9180
 IR Inten    --      2.5172                 2.9635                 1.4469
 RamAct Fr= 1--      4.1958                15.0861                 1.3969
  Dep-P Fr= 1--      0.0626                 0.0413                 0.6789
  Dep-U Fr= 1--      0.1178                 0.0793                 0.8087
 Alpha2 Fr= 1--      0.0804                 0.3042                 0.0018
 Beta2  Fr= 1--      0.0824                 0.1994                 0.1883
 AlphaG Fr= 1--      0.1151                 0.2354                -0.0147
 Gamma2 Fr= 1--      0.5481                 0.1390                 0.0984
 Delta2 Fr= 1--      0.4106                -0.1254                 0.0414
 Raman1 Fr= 1--      16.783                 60.344                  5.588
 ROA1   Fr= 1--      65.759                  9.330                 10.775
 CID1   Fr= 1--       3.918                  0.155                  1.928
 Raman2 Fr= 1--       0.989                  2.393                  2.259
 ROA2   Fr= 1--       9.870                  4.339                  2.031
 CID2   Fr= 1--       9.983                  1.813                  0.899
 Raman3 Fr= 1--       1.977                  4.786                  4.519
 ROA3   Fr= 1--      65.759                  9.330                 10.775
 CID3   Fr= 1--      33.258                  1.949                  2.384
 RC180  Fr= 1--      -0.764                 -0.841                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.07  -0.08     0.08   0.12  -0.04     0.03   0.21   0.00
     2   6     0.05  -0.09  -0.01     0.00   0.01  -0.07     0.04  -0.01  -0.01
     3   6     0.02  -0.10   0.16     0.04  -0.11   0.11    -0.18  -0.14  -0.00
     4   6     0.08   0.07  -0.07    -0.08  -0.10   0.13     0.04  -0.04  -0.04
     5   6    -0.08   0.08   0.01     0.06   0.16   0.07     0.05  -0.06  -0.02
     6   8     0.09  -0.03  -0.01     0.02  -0.01   0.01     0.03  -0.00  -0.01
     7   1     0.04   0.46  -0.06    -0.21   0.09  -0.01    -0.22  -0.08   0.01
     8   1    -0.11  -0.07   0.30     0.25   0.05  -0.27    -0.11   0.44  -0.29
     9   1    -0.10  -0.42   0.18     0.19  -0.20   0.07    -0.24   0.25   0.02
    10   1    -0.17  -0.01  -0.12     0.10  -0.08  -0.01    -0.28  -0.26   0.37
    11   1    -0.04   0.09  -0.16    -0.11  -0.06   0.12    -0.01   0.11  -0.05
    12   6     0.00   0.01  -0.03    -0.12  -0.08  -0.14     0.06   0.02   0.07
    13   1     0.08  -0.06   0.04    -0.13   0.43  -0.01    -0.12  -0.04  -0.01
    14   1    -0.20   0.11   0.23     0.09  -0.01  -0.21    -0.06  -0.22  -0.06
    15   1    -0.22  -0.10  -0.20     0.05   0.06   0.01     0.01   0.02   0.04
    16   1    -0.05  -0.01   0.14    -0.06  -0.02  -0.24     0.05   0.04   0.14
    17   1    -0.02   0.02   0.17    -0.15  -0.09  -0.41     0.05   0.03   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.6733               935.6361               964.9773
 Red. masses --      1.7807                 2.0418                 1.4120
 Frc consts  --      0.8248                 1.0531                 0.7747
 IR Inten    --      4.8935                 1.8505                 0.5300
 RamAct Fr= 1--      2.5726                 3.5468                 0.7004
  Dep-P Fr= 1--      0.1766                 0.5490                 0.3879
  Dep-U Fr= 1--      0.3002                 0.7088                 0.5590
 Alpha2 Fr= 1--      0.0371                 0.0136                 0.0054
 Beta2  Fr= 1--      0.1287                 0.4190                 0.0653
 AlphaG Fr= 1--     -0.0733                 0.0391                 0.0416
 Gamma2 Fr= 1--      0.2720                -0.2548                 0.1142
 Delta2 Fr= 1--      0.4443                -1.0909                -0.7266
 Raman1 Fr= 1--      10.290                 14.187                  2.802
 ROA1   Fr= 1--      40.329                -59.368                -12.286
 CID1   Fr= 1--       3.919                 -4.185                 -4.385
 Raman2 Fr= 1--       1.544                  5.028                  0.783
 ROA2   Fr= 1--       2.974                  2.612                  8.554
 CID2   Fr= 1--       1.925                  0.519                 10.924
 Raman3 Fr= 1--       3.089                 10.057                  1.566
 ROA3   Fr= 1--      40.329                -59.368                -12.286
 CID3   Fr= 1--      13.056                 -5.903                 -7.845
 RC180  Fr= 1--      -0.400                  0.418                  0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.01    -0.10   0.02   0.08    -0.01   0.01   0.10
     2   6     0.01  -0.05   0.10    -0.01   0.02  -0.03    -0.02  -0.03  -0.07
     3   6     0.06  -0.12  -0.09     0.11  -0.09   0.02     0.01   0.03   0.04
     4   6    -0.03  -0.02  -0.00    -0.03   0.13   0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.14  -0.07     0.10  -0.12  -0.06    -0.01   0.02  -0.10
     6   8    -0.01  -0.00  -0.01    -0.02  -0.01   0.02     0.01  -0.00   0.01
     7   1     0.30  -0.12  -0.06    -0.19   0.03   0.09    -0.12  -0.19   0.10
     8   1    -0.10   0.05   0.10    -0.31   0.21   0.07    -0.06   0.14  -0.13
     9   1     0.02   0.30  -0.07     0.30  -0.00  -0.03     0.33  -0.14  -0.04
    10   1     0.21  -0.24   0.29     0.18  -0.11   0.06    -0.24   0.08  -0.08
    11   1     0.14  -0.04   0.13    -0.04   0.44   0.05    -0.03   0.23  -0.00
    12   6    -0.02  -0.00   0.04    -0.07   0.05  -0.05     0.02  -0.07   0.02
    13   1     0.30  -0.11  -0.02     0.03  -0.05  -0.07     0.04  -0.36   0.04
    14   1    -0.12   0.35   0.31     0.17  -0.10  -0.14     0.13   0.33   0.11
    15   1     0.20   0.09   0.21     0.09  -0.08   0.05    -0.03   0.18   0.01
    16   1     0.02  -0.01  -0.17    -0.18  -0.22  -0.39     0.17   0.22   0.25
    17   1     0.04  -0.03  -0.14     0.21  -0.01   0.14    -0.23  -0.02  -0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0028              1009.1492              1041.5521
 Red. masses --      2.0132                 1.5815                 1.4190
 Frc consts  --      1.1885                 0.9489                 0.9070
 IR Inten    --      0.5174                 1.6717                 7.6697
 RamAct Fr= 1--      3.9217                 4.4389                 1.7378
  Dep-P Fr= 1--      0.3224                 0.7031                 0.3041
  Dep-U Fr= 1--      0.4876                 0.8256                 0.4664
 Alpha2 Fr= 1--      0.0376                 0.0036                 0.0176
 Beta2  Fr= 1--      0.3187                 0.6108                 0.1351
 AlphaG Fr= 1--     -0.0918                -0.0541                -0.0197
 Gamma2 Fr= 1--      0.5919                -0.8084                -0.2329
 Delta2 Fr= 1--      0.7846                -1.7526                 0.0741
 Raman1 Fr= 1--      15.687                 17.756                  6.951
 ROA1   Fr= 1--      81.928               -133.688                -19.987
 CID1   Fr= 1--       5.223                 -7.529                 -2.875
 Raman2 Fr= 1--       3.824                  7.330                  1.621
 ROA2   Fr= 1--       7.929                 -5.380                 -6.182
 CID2   Fr= 1--       2.073                 -0.734                 -3.813
 Raman3 Fr= 1--       7.648                 14.660                  3.242
 ROA3   Fr= 1--      81.928               -133.688                -19.987
 CID3   Fr= 1--      10.712                 -9.119                 -6.165
 RC180  Fr= 1--      -0.025                  0.651                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18   0.04  -0.03    -0.00  -0.01  -0.00     0.03   0.03  -0.01
     2   6    -0.03  -0.00  -0.05    -0.00   0.02  -0.04    -0.02  -0.07   0.02
     3   6     0.07  -0.06   0.05     0.04  -0.04   0.04     0.01   0.05   0.01
     4   6    -0.07   0.06  -0.00    -0.10  -0.04  -0.12     0.11   0.05  -0.03
     5   6    -0.17  -0.05   0.02     0.00   0.03  -0.01    -0.04  -0.04   0.01
     6   8    -0.01   0.01   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.00
     7   1     0.21  -0.30  -0.06    -0.33   0.23   0.06    -0.11   0.04   0.01
     8   1     0.29   0.03  -0.27     0.21  -0.17  -0.09     0.24  -0.13  -0.11
     9   1     0.35  -0.09  -0.03    -0.31  -0.08   0.12    -0.20  -0.05   0.06
    10   1     0.04  -0.04  -0.01     0.44   0.00  -0.11    -0.15   0.06  -0.03
    11   1    -0.24   0.06  -0.14    -0.08   0.05  -0.10     0.42   0.17   0.23
    12   6     0.02   0.07   0.00     0.03   0.04   0.13    -0.09  -0.02   0.01
    13   1    -0.15  -0.26   0.10    -0.26  -0.18   0.10    -0.21  -0.19   0.09
    14   1    -0.29  -0.02   0.23     0.25   0.22  -0.15    -0.22  -0.18   0.10
    15   1    -0.07  -0.11  -0.08     0.18   0.09   0.24     0.25   0.12   0.26
    16   1    -0.09  -0.11  -0.03     0.05   0.03  -0.01    -0.01  -0.01  -0.35
    17   1     0.13   0.05   0.30     0.09   0.01   0.04     0.05  -0.08  -0.29
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1125.4793              1158.7767              1177.7807
 Red. masses --      1.4776                 4.1228                 1.3714
 Frc consts  --      1.1028                 3.2617                 1.1209
 IR Inten    --      1.1767                68.8361                 2.7027
 RamAct Fr= 1--      2.5328                 1.0944                 2.4815
  Dep-P Fr= 1--      0.6594                 0.7471                 0.6631
  Dep-U Fr= 1--      0.7947                 0.8553                 0.7974
 Alpha2 Fr= 1--      0.0041                 0.0001                 0.0038
 Beta2  Fr= 1--      0.3355                 0.1560                 0.3298
 AlphaG Fr= 1--      0.0144                 0.0020                 0.0313
 Gamma2 Fr= 1--      0.5205                -0.0147                -0.3401
 Delta2 Fr= 1--     -0.1490                -0.0291                -1.1219
 Raman1 Fr= 1--      10.131                  4.378                  9.926
 ROA1   Fr= 1--      45.196                 -2.340                -68.547
 CID1   Fr= 1--       4.461                 -0.534                 -6.906
 Raman2 Fr= 1--       4.026                  1.872                  3.958
 ROA2   Fr= 1--      13.684                 -0.119                  0.813
 CID2   Fr= 1--       3.399                 -0.064                  0.205
 Raman3 Fr= 1--       8.052                  3.744                  7.915
 ROA3   Fr= 1--      45.196                 -2.340                -68.547
 CID3   Fr= 1--       5.613                 -0.625                 -8.660
 RC180  Fr= 1--       0.589                  0.711                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.06    -0.02  -0.17   0.06    -0.04   0.03   0.09
     2   6     0.02   0.01   0.08     0.08   0.37  -0.19    -0.03  -0.06  -0.06
     3   6    -0.00  -0.04  -0.07    -0.08  -0.15   0.06    -0.05   0.05   0.01
     4   6    -0.04   0.09   0.00     0.13   0.00  -0.01    -0.00  -0.05   0.01
     5   6     0.01  -0.02   0.07    -0.08   0.05   0.04     0.04   0.04  -0.04
     6   8    -0.00  -0.00  -0.01    -0.01  -0.06   0.03     0.04  -0.00   0.00
     7   1    -0.01   0.15  -0.05     0.34  -0.25   0.00     0.08  -0.24   0.05
     8   1     0.12  -0.18   0.06     0.06  -0.24   0.06     0.10  -0.05  -0.07
     9   1     0.16   0.15  -0.10    -0.32   0.05   0.12    -0.19  -0.01   0.04
    10   1     0.23  -0.08   0.06    -0.09  -0.17   0.14     0.53   0.11  -0.21
    11   1    -0.23   0.54  -0.08     0.09   0.45   0.03    -0.12   0.28  -0.03
    12   6     0.04  -0.09   0.00    -0.04  -0.02  -0.00     0.01   0.01  -0.01
    13   1    -0.20   0.04   0.07     0.10   0.06   0.01     0.24   0.10  -0.10
    14   1    -0.14  -0.25  -0.01    -0.09   0.07   0.08    -0.43  -0.30   0.23
    15   1    -0.08   0.16  -0.05     0.06   0.04   0.07    -0.02  -0.03  -0.02
    16   1     0.16   0.19   0.27     0.01   0.01  -0.12    -0.02  -0.02   0.01
    17   1    -0.23  -0.02  -0.25     0.01  -0.04  -0.17     0.02   0.01   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1207.7679              1232.0784              1271.6531
 Red. masses --      1.5472                 1.5780                 1.5963
 Frc consts  --      1.3297                 1.4114                 1.5209
 IR Inten    --      0.2948                 1.2052                 2.3007
 RamAct Fr= 1--      1.3365                 2.2112                 1.7559
  Dep-P Fr= 1--      0.5106                 0.6112                 0.7434
  Dep-U Fr= 1--      0.6760                 0.7587                 0.8528
 Alpha2 Fr= 1--      0.0063                 0.0056                 0.0002
 Beta2  Fr= 1--      0.1506                 0.2796                 0.2496
 AlphaG Fr= 1--     -0.0001                 0.0212                -0.0040
 Gamma2 Fr= 1--      1.3877                 0.9860                -1.4136
 Delta2 Fr= 1--      0.6274                 0.2465                -0.3720
 Raman1 Fr= 1--       5.346                  8.845                  7.024
 ROA1   Fr= 1--     153.292                102.549               -147.615
 CID1   Fr= 1--      28.674                 11.594                -21.017
 Raman2 Fr= 1--       1.807                  3.355                  2.995
 ROA2   Fr= 1--      28.284                 21.693                -30.951
 CID2   Fr= 1--      15.653                  6.465                -10.334
 Raman3 Fr= 1--       3.614                  6.710                  5.990
 ROA3   Fr= 1--     153.292                102.549               -147.615
 CID3   Fr= 1--      42.417                 15.282                -24.643
 RC180  Fr= 1--       0.352                  0.517                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.02    -0.08   0.01  -0.01    -0.07   0.08   0.04
     2   6     0.04   0.05   0.07     0.03   0.02   0.04    -0.00   0.02  -0.02
     3   6    -0.04  -0.00  -0.04    -0.04   0.03   0.03     0.16  -0.00  -0.03
     4   6     0.01  -0.06   0.11     0.01  -0.11  -0.11    -0.08   0.04  -0.02
     5   6    -0.00   0.00  -0.11     0.07   0.04   0.03     0.03  -0.05  -0.01
     6   8     0.01  -0.02  -0.01     0.01  -0.01  -0.01    -0.01  -0.01   0.01
     7   1    -0.37   0.23   0.08     0.20  -0.11  -0.05     0.09  -0.19   0.01
     8   1     0.49  -0.43  -0.10     0.13  -0.20   0.05     0.35  -0.27  -0.07
     9   1     0.10   0.08  -0.07     0.64  -0.02  -0.15    -0.40  -0.07   0.11
    10   1    -0.09  -0.04   0.10    -0.31   0.05  -0.01    -0.50  -0.05   0.14
    11   1     0.04   0.10   0.15    -0.20   0.05  -0.26    -0.17  -0.14  -0.11
    12   6     0.02   0.05  -0.06    -0.05   0.04   0.06     0.02  -0.02   0.02
    13   1    -0.02  -0.28   0.01    -0.07   0.04   0.04     0.26   0.21  -0.15
    14   1    -0.03   0.12   0.09    -0.09  -0.19  -0.03    -0.06  -0.14   0.01
    15   1    -0.11  -0.16  -0.18     0.19   0.00   0.23    -0.01   0.08   0.02
    16   1    -0.10  -0.12   0.02    -0.04  -0.04  -0.16     0.05   0.04   0.06
    17   1     0.05   0.05   0.19     0.16  -0.02   0.02    -0.08   0.00  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1298.8588              1325.6269              1351.7081
 Red. masses --      1.2581                 1.5699                 1.4864
 Frc consts  --      1.2505                 1.6254                 1.6001
 IR Inten    --      3.2683                 1.3102                 2.2691
 RamAct Fr= 1--      3.6822                 2.0319                 1.1347
  Dep-P Fr= 1--      0.6804                 0.6435                 0.7134
  Dep-U Fr= 1--      0.8098                 0.7831                 0.8327
 Alpha2 Fr= 1--      0.0045                 0.0039                 0.0007
 Beta2  Fr= 1--      0.4970                 0.2652                 0.1575
 AlphaG Fr= 1--     -0.0238                 0.0155                -0.0022
 Gamma2 Fr= 1--      2.4633                 1.9837                -0.7825
 Delta2 Fr= 1--      0.5595                 1.6046                -0.6405
 Raman1 Fr= 1--      14.729                  8.128                  4.539
 ROA1   Fr= 1--     254.386                241.787                -95.619
 CID1   Fr= 1--      17.271                 29.748                -21.068
 Raman2 Fr= 1--       5.964                  3.182                  1.890
 ROA2   Fr= 1--      54.644                 34.773                -13.657
 CID2   Fr= 1--       9.163                 10.926                 -7.227
 Raman3 Fr= 1--      11.928                  6.365                  3.780
 ROA3   Fr= 1--     254.386                241.787                -95.619
 CID3   Fr= 1--      21.328                 37.987                -25.299
 RC180  Fr= 1--       0.620                  0.566                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.08  -0.03     0.05  -0.07  -0.02     0.02   0.04  -0.01
     2   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.00    -0.01  -0.05   0.03
     3   6    -0.00   0.01  -0.00     0.11   0.04  -0.05     0.00   0.03  -0.02
     4   6    -0.01  -0.02   0.03    -0.01  -0.12   0.03     0.07  -0.09  -0.00
     5   6     0.02  -0.01   0.04     0.04   0.09  -0.00    -0.12  -0.07   0.06
     6   8     0.02  -0.00   0.00    -0.02   0.01   0.01     0.00   0.01  -0.01
     7   1     0.52  -0.37  -0.14    -0.03   0.12   0.00    -0.06   0.04  -0.00
     8   1     0.09  -0.11   0.03    -0.31   0.24   0.05     0.08   0.00  -0.04
     9   1    -0.12  -0.02   0.03    -0.32  -0.07   0.06    -0.05   0.03  -0.01
    10   1     0.09   0.02  -0.02    -0.38  -0.01   0.12    -0.02   0.04  -0.03
    11   1     0.16   0.19   0.20    -0.22   0.48  -0.03    -0.18   0.54  -0.11
    12   6     0.02   0.01  -0.03     0.01   0.04  -0.00    -0.03   0.02  -0.01
    13   1    -0.39  -0.19   0.17    -0.28  -0.18   0.15     0.39   0.36  -0.18
    14   1     0.32   0.16  -0.18    -0.19  -0.11   0.08     0.35   0.34  -0.13
    15   1    -0.06  -0.06  -0.10    -0.02  -0.13  -0.05     0.09  -0.05   0.07
    16   1    -0.03  -0.04   0.05    -0.09  -0.11  -0.01    -0.02   0.01   0.00
    17   1    -0.01   0.03   0.08     0.02   0.03   0.03     0.11  -0.02   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1379.5282              1417.5538              1450.2102
 Red. masses --      1.3990                 1.2423                 1.0847
 Frc consts  --      1.5687                 1.4708                 1.3441
 IR Inten    --      2.2093                 6.3178                18.4319
 RamAct Fr= 1--      1.5822                 0.2541                 2.0273
  Dep-P Fr= 1--      0.7164                 0.7490                 0.7258
  Dep-U Fr= 1--      0.8348                 0.8565                 0.8411
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0008
 Beta2  Fr= 1--      0.2201                 0.0363                 0.2842
 AlphaG Fr= 1--     -0.0082                 0.0002                 0.0145
 Gamma2 Fr= 1--     -0.0268                 0.0565                -0.0415
 Delta2 Fr= 1--      0.0535                -0.1599                 0.4863
 Raman1 Fr= 1--       6.329                  1.016                  8.109
 ROA1   Fr= 1--      -0.857                  0.313                 11.577
 CID1   Fr= 1--      -0.135                  0.308                  1.428
 Raman2 Fr= 1--       2.642                  0.435                  3.410
 ROA2   Fr= 1--      -1.071                  2.636                 -4.887
 CID2   Fr= 1--      -0.405                  6.058                 -1.433
 Raman3 Fr= 1--       5.283                  0.870                  6.821
 ROA3   Fr= 1--      -0.857                  0.313                 11.577
 CID3   Fr= 1--      -0.162                  0.359                  1.697
 RC180  Fr= 1--       0.670                  0.713                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.02   0.01
     2   6     0.00   0.01   0.00    -0.00   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.01  -0.00   0.03     0.00   0.01  -0.01     0.02  -0.06   0.04
     4   6    -0.12  -0.05  -0.11     0.02   0.01   0.03    -0.00  -0.01   0.01
     5   6    -0.01   0.00   0.03     0.01   0.01  -0.01     0.01  -0.00  -0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.03   0.08   0.02     0.06   0.05  -0.00     0.16   0.20  -0.00
     8   1    -0.01   0.03  -0.05    -0.01   0.02  -0.08     0.02   0.06  -0.24
     9   1     0.18  -0.10  -0.02    -0.06  -0.10   0.01    -0.04   0.64   0.04
    10   1    -0.12  -0.01   0.04     0.02  -0.04   0.11    -0.20   0.17  -0.60
    11   1     0.60   0.26   0.51    -0.09  -0.06  -0.06    -0.01   0.01   0.01
    12   6     0.05   0.01  -0.04    -0.07  -0.04  -0.11     0.00  -0.00  -0.02
    13   1     0.16   0.23  -0.08    -0.09  -0.06   0.03    -0.05   0.02   0.00
    14   1    -0.10  -0.09   0.04    -0.03   0.00   0.04    -0.00   0.02   0.04
    15   1     0.02   0.02  -0.04     0.42   0.20   0.30     0.05   0.07   0.03
    16   1     0.00   0.01   0.23     0.10   0.34   0.42    -0.02  -0.03   0.03
    17   1    -0.03   0.05   0.21     0.25  -0.08   0.49    -0.06   0.02   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1455.8960              1497.5749              1500.7747
 Red. masses --      1.0839                 1.0578                 1.0574
 Frc consts  --      1.3536                 1.3977                 1.4033
 IR Inten    --      4.0481                 6.7821                 1.4609
 RamAct Fr= 1--      8.1933                 4.7858                 5.1990
  Dep-P Fr= 1--      0.6440                 0.7383                 0.7256
  Dep-U Fr= 1--      0.7834                 0.8494                 0.8410
 Alpha2 Fr= 1--      0.0157                 0.0010                 0.0022
 Beta2  Fr= 1--      1.0698                 0.6775                 0.7287
 AlphaG Fr= 1--      0.0551                -0.0024                -0.0054
 Gamma2 Fr= 1--     -1.1009                 0.4136                -0.1325
 Delta2 Fr= 1--      0.9001                 0.0348                -1.1969
 Raman1 Fr= 1--      32.773                 19.143                 20.796
 ROA1   Fr= 1--     -76.883                 40.821                -51.020
 CID1   Fr= 1--      -2.346                  2.132                 -2.453
 Raman2 Fr= 1--      12.838                  8.131                  8.744
 ROA2   Fr= 1--     -33.622                  9.648                  6.396
 CID2   Fr= 1--      -2.619                  1.187                  0.731
 Raman3 Fr= 1--      25.675                 16.261                 17.489
 ROA3   Fr= 1--     -76.883                 40.821                -51.020
 CID3   Fr= 1--      -2.994                  2.510                 -2.917
 RC180  Fr= 1--       0.567                  0.699                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.05     0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.01  -0.02   0.02    -0.00  -0.01   0.00    -0.00   0.01  -0.00
     4   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00     0.02  -0.02   0.00
     5   6     0.01   0.00  -0.01    -0.02   0.03   0.02    -0.02   0.03   0.01
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.43  -0.47  -0.00    -0.04  -0.05  -0.00    -0.07  -0.07  -0.00
     8   1    -0.05  -0.15   0.63     0.00  -0.01   0.06    -0.01  -0.02   0.09
     9   1    -0.02   0.22   0.02    -0.01   0.03   0.00     0.00  -0.02  -0.00
    10   1    -0.08   0.06  -0.22     0.02   0.00  -0.03    -0.00   0.00   0.02
    11   1     0.02   0.02   0.03    -0.01  -0.04  -0.03    -0.03   0.04  -0.03
    12   6    -0.01  -0.00  -0.02     0.01   0.03  -0.03     0.03  -0.04  -0.01
    13   1    -0.11   0.08  -0.02     0.26  -0.25   0.07     0.16  -0.17   0.05
    14   1    -0.04   0.06   0.12     0.02  -0.19  -0.31     0.03  -0.10  -0.20
    15   1     0.06  -0.01   0.03     0.36  -0.26   0.21    -0.05   0.62   0.03
    16   1     0.02   0.06   0.08    -0.30  -0.33   0.39    -0.03  -0.18  -0.31
    17   1     0.07  -0.02   0.05    -0.28   0.09  -0.19    -0.40   0.12   0.42
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1508.0082              1814.6054              3025.7798
 Red. masses --      1.0740                12.5848                 1.0479
 Frc consts  --      1.4391                24.4152                 5.6524
 IR Inten    --      5.9995               258.7535                27.5647
 RamAct Fr= 1--      1.7328                19.5131                34.9578
  Dep-P Fr= 1--      0.6083                 0.4568                 0.3581
  Dep-U Fr= 1--      0.7565                 0.6271                 0.5274
 Alpha2 Fr= 1--      0.0045                 0.1164                 0.2989
 Beta2  Fr= 1--      0.2185                 2.0395                 3.0726
 AlphaG Fr= 1--     -0.0036                 0.4165                 0.2263
 Gamma2 Fr= 1--     -0.3132                 3.5839                 0.8996
 Delta2 Fr= 1--      0.1745                 0.6384                 0.5569
 Raman1 Fr= 1--       6.931                 78.052                139.831
 ROA1   Fr= 1--     -24.486                364.480                104.181
 CID1   Fr= 1--      -3.533                  4.670                  0.745
 Raman2 Fr= 1--       2.622                 24.475                 36.871
 ROA2   Fr= 1--      -8.913                 80.906                 17.135
 CID2   Fr= 1--      -3.400                  3.306                  0.465
 Raman3 Fr= 1--       5.243                 48.949                 73.743
 ROA3   Fr= 1--     -24.486                364.480                104.181
 CID3   Fr= 1--      -4.670                  7.446                  1.413
 RC180  Fr= 1--       0.513                  0.254                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.01   0.01     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.00     0.75  -0.26  -0.20     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00    -0.04   0.01   0.01    -0.01   0.01  -0.04
     4   6     0.02   0.00  -0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
     5   6     0.03  -0.05  -0.02    -0.02   0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.49   0.17   0.13    -0.00   0.00   0.00
     7   1     0.03   0.03  -0.00     0.03  -0.04   0.00    -0.01   0.01  -0.10
     8   1    -0.00   0.00  -0.04     0.10  -0.09  -0.01     0.01   0.01   0.01
     9   1     0.02  -0.10  -0.01     0.01   0.00  -0.01     0.13   0.00   0.52
    10   1     0.04  -0.02   0.09     0.15   0.02  -0.06    -0.01  -0.16  -0.07
    11   1    -0.04  -0.03  -0.07    -0.02  -0.00   0.02     0.11   0.02  -0.14
    12   6     0.03   0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.04
    13   1    -0.36   0.37  -0.11     0.03  -0.00   0.00     0.01   0.03   0.08
    14   1    -0.01   0.28   0.44    -0.02   0.02  -0.00    -0.03   0.02  -0.02
    15   1     0.20   0.08   0.14    -0.01  -0.02  -0.01    -0.33  -0.06   0.43
    16   1    -0.23  -0.34   0.09     0.00   0.01   0.02     0.34  -0.23   0.05
    17   1    -0.39   0.12   0.01     0.01  -0.00  -0.01     0.11   0.38  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3028.0990              3039.1426              3046.6239
 Red. masses --      1.0572                 1.0685                 1.0652
 Frc consts  --      5.7113                 5.8149                 5.8255
 IR Inten    --      5.0903                13.8120                13.2455
 RamAct Fr= 1--    173.7928               112.0384                84.4247
  Dep-P Fr= 1--      0.0332                 0.1557                 0.1132
  Dep-U Fr= 1--      0.0642                 0.2694                 0.2034
 Alpha2 Fr= 1--      3.5726                 1.7072                 1.4309
 Beta2  Fr= 1--      1.8606                 5.0306                 2.8622
 AlphaG Fr= 1--     -0.8533                -0.7162                -0.7700
 Gamma2 Fr= 1--      7.8605                -5.4370                -4.4328
 Delta2 Fr= 1--     -1.6735                 0.0939                -2.2550
 Raman1 Fr= 1--     695.171                448.154                337.699
 ROA1   Fr= 1--     701.055               -518.950               -497.711
 CID1   Fr= 1--       1.008                 -1.158                 -1.474
 Raman2 Fr= 1--      22.327                 60.367                 34.346
 ROA2   Fr= 1--     202.039               -131.240                -88.348
 CID2   Fr= 1--       9.049                 -2.174                 -2.572
 Raman3 Fr= 1--      44.654                120.734                 68.692
 ROA3   Fr= 1--     701.055               -518.950               -497.711
 CID3   Fr= 1--      15.700                 -4.298                 -7.246
 RC180  Fr= 1--      -0.872                 -0.461                 -0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.02     0.01   0.02  -0.06
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.02  -0.00   0.02    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.01  -0.04  -0.05     0.01  -0.02  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1     0.01  -0.01   0.08    -0.03   0.02  -0.22     0.12  -0.05   0.88
     8   1    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00    -0.22  -0.24  -0.11
     9   1     0.19  -0.00   0.73    -0.02  -0.00  -0.07    -0.00   0.00  -0.02
    10   1    -0.01  -0.20  -0.08     0.00   0.03   0.01    -0.00  -0.01  -0.00
    11   1     0.08   0.02  -0.10     0.23   0.04  -0.29     0.02   0.00  -0.02
    12   6     0.01   0.01   0.03     0.01   0.00   0.00    -0.01  -0.00  -0.00
    13   1    -0.01  -0.02  -0.06     0.12   0.28   0.75     0.02   0.05   0.14
    14   1     0.02  -0.02   0.02    -0.23   0.18  -0.17    -0.16   0.14  -0.11
    15   1     0.23   0.04  -0.30     0.02   0.00  -0.03    -0.01  -0.00   0.01
    16   1    -0.27   0.18  -0.04    -0.10   0.07  -0.02     0.08  -0.05   0.01
    17   1    -0.08  -0.30   0.03    -0.03  -0.13   0.01     0.02   0.07  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3057.0778              3087.3755              3088.0415
 Red. masses --      1.0835                 1.0983                 1.0990
 Frc consts  --      5.9664                 6.1680                 6.1746
 IR Inten    --     24.2966                13.0036                52.9738
 RamAct Fr= 1--    217.3031                65.6432                52.6316
  Dep-P Fr= 1--      0.1505                 0.2741                 0.2117
  Dep-U Fr= 1--      0.2617                 0.4303                 0.3495
 Alpha2 Fr= 1--      3.3547                 0.7264                 0.6927
 Beta2  Fr= 1--      9.4776                 4.7080                 3.0654
 AlphaG Fr= 1--      0.5957                 0.3465                 0.3823
 Gamma2 Fr= 1--     10.8153                16.5428                -0.1868
 Delta2 Fr= 1--      6.8656                11.3431                 0.0451
 Raman1 Fr= 1--     869.212                262.573                210.526
 ROA1   Fr= 1--    1257.971               1951.092                -16.490
 CID1   Fr= 1--       1.447                  7.431                 -0.078
 Raman2 Fr= 1--     113.732                 56.495                 36.785
 ROA2   Fr= 1--     204.644                306.284                 -4.844
 CID2   Fr= 1--       1.799                  5.421                 -0.132
 Raman3 Fr= 1--     227.463                112.991                 73.571
 ROA3   Fr= 1--    1257.971               1951.092                -16.490
 CID3   Fr= 1--       5.530                 17.268                 -0.224
 RC180  Fr= 1--      -0.477                 -0.139                 -0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02   0.02   0.00     0.00   0.01   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01  -0.01     0.00   0.01   0.00    -0.00   0.00  -0.00
     4   6     0.04   0.01  -0.05     0.00   0.00  -0.00     0.02   0.00  -0.02
     5   6     0.01  -0.02  -0.02    -0.05   0.03  -0.06     0.01  -0.01   0.00
     6   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   1    -0.01   0.01  -0.11     0.01   0.00   0.05     0.00   0.00   0.01
     8   1    -0.01  -0.01  -0.00    -0.21  -0.23  -0.09    -0.06  -0.07  -0.03
     9   1     0.05  -0.00   0.19    -0.00   0.00  -0.02     0.01  -0.00   0.03
    10   1     0.00  -0.06  -0.02    -0.00  -0.08  -0.03     0.00  -0.02  -0.01
    11   1    -0.51  -0.10   0.64    -0.03  -0.01   0.04    -0.20  -0.04   0.26
    12   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.07   0.03  -0.04
    13   1     0.05   0.12   0.32     0.04   0.13   0.32     0.00  -0.00  -0.00
    14   1    -0.12   0.10  -0.09     0.56  -0.48   0.37    -0.08   0.07  -0.05
    15   1     0.14   0.03  -0.19    -0.04  -0.01   0.06    -0.41  -0.07   0.55
    16   1     0.12  -0.09   0.02    -0.18   0.12  -0.03    -0.30   0.22  -0.07
    17   1     0.03   0.15  -0.01     0.05   0.16  -0.01    -0.12  -0.47   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3094.0581              3100.3022              3102.9851
 Red. masses --      1.1014                 1.0945                 1.0981
 Frc consts  --      6.2123                 6.1983                 6.2293
 IR Inten    --     30.2300                17.0876                13.8814
 RamAct Fr= 1--     80.5964                85.6287               108.6781
  Dep-P Fr= 1--      0.5715                 0.4469                 0.4477
  Dep-U Fr= 1--      0.7273                 0.6177                 0.6185
 Alpha2 Fr= 1--      0.2713                 0.5315                 0.6724
 Beta2  Fr= 1--      9.7700                 8.8162                11.2028
 AlphaG Fr= 1--      0.5329                 0.5901                 0.7261
 Gamma2 Fr= 1--    -11.4312                 2.3965               -19.7248
 Delta2 Fr= 1--     -7.3398                 6.6905               -12.1693
 Raman1 Fr= 1--     322.386                342.515                434.713
 ROA1   Fr= 1--   -1332.270                444.163              -2282.994
 CID1   Fr= 1--      -4.133                  1.297                 -5.252
 Raman2 Fr= 1--     117.240                105.794                134.434
 ROA2   Fr= 1--    -215.631                  3.993               -376.040
 CID2   Fr= 1--      -1.839                  0.038                 -2.797
 Raman3 Fr= 1--     234.479                211.588                268.867
 ROA3   Fr= 1--   -1332.270                444.163              -2282.994
 CID3   Fr= 1--      -5.682                  2.099                 -8.491
 RC180  Fr= 1--       0.455                  0.235                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.05
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.02   0.01    -0.01  -0.07  -0.04    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.03
     6   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   1     0.00  -0.00   0.02     0.00  -0.00   0.03     0.04  -0.04   0.34
     8   1     0.08   0.09   0.03     0.02   0.03   0.01     0.56   0.62   0.23
     9   1    -0.01   0.00  -0.05     0.06  -0.02   0.25     0.00   0.00   0.00
    10   1    -0.01  -0.19  -0.06     0.01   0.89   0.29    -0.00  -0.05  -0.01
    11   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02    -0.03  -0.01   0.04
    12   6     0.03  -0.08   0.01     0.01  -0.02   0.00     0.00   0.01  -0.01
    13   1    -0.01  -0.03  -0.08     0.00   0.01   0.02     0.03   0.08   0.21
    14   1    -0.17   0.15  -0.11     0.02  -0.01   0.01     0.15  -0.13   0.10
    15   1    -0.02  -0.02   0.04    -0.02  -0.01   0.03    -0.04  -0.01   0.06
    16   1    -0.56   0.36  -0.10    -0.13   0.09  -0.02     0.01  -0.00   0.00
    17   1     0.18   0.60  -0.04     0.04   0.14  -0.01    -0.02  -0.08   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   407.55100 818.49953 979.10228
           X            0.99920   0.03498   0.01957
           Y           -0.03481   0.99936  -0.00855
           Z           -0.01986   0.00787   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21252     0.10582     0.08846
 Rotational constants (GHZ):           4.42826     2.20494     1.84326
 Zero-point vibrational energy     391322.0 (Joules/Mol)
                                   93.52821 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    106.19   249.49   339.43   504.32   529.20
          (Kelvin)            662.02   685.23   840.61   966.52  1061.05
                             1144.51  1172.27  1275.73  1346.17  1388.39
                             1440.22  1451.94  1498.56  1619.31  1667.22
                             1694.56  1737.71  1772.69  1829.63  1868.77
                             1907.28  1944.81  1984.83  2039.54  2086.53
                             2094.71  2154.68  2159.28  2169.69  2610.81
                             4353.42  4356.76  4372.65  4383.41  4398.45
                             4442.04  4443.00  4451.66  4460.64  4464.50
 
 Zero-point correction=                           0.149047 (Hartree/Particle)
 Thermal correction to Energy=                    0.155949
 Thermal correction to Enthalpy=                  0.156893
 Thermal correction to Gibbs Free Energy=         0.118158
 Sum of electronic and zero-point Energies=           -309.885082
 Sum of electronic and thermal Energies=              -309.878180
 Sum of electronic and thermal Enthalpies=            -309.877235
 Sum of electronic and thermal Free Energies=         -309.915970
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.859             26.109             81.525
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.282
 Vibrational             96.082             20.148             14.583
 Vibration     1          0.599              1.966              4.049
 Vibration     2          0.627              1.875              2.398
 Vibration     3          0.655              1.786              1.833
 Vibration     4          0.727              1.574              1.164
 Vibration     5          0.740              1.538              1.089
 Vibration     6          0.818              1.338              0.766
 Vibration     7          0.833              1.303              0.720
 Vibration     8          0.941              1.065              0.478
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.447884D-54        -54.348835       -125.142816
 Total V=0       0.161369D+15         14.207820         32.714714
 Vib (Bot)       0.573491D-67        -67.241474       -154.829215
 Vib (Bot)    1  0.279281D+01          0.446041          1.027048
 Vib (Bot)    2  0.116085D+01          0.064775          0.149150
 Vib (Bot)    3  0.832684D+00         -0.079520         -0.183101
 Vib (Bot)    4  0.526178D+00         -0.278867         -0.642115
 Vib (Bot)    5  0.495720D+00         -0.304763         -0.701743
 Vib (Bot)    6  0.369614D+00         -0.432252         -0.995297
 Vib (Bot)    7  0.352291D+00         -0.453098         -1.043297
 Vib (Bot)    8  0.259703D+00         -0.585524         -1.348218
 Vib (V=0)       0.206624D+02          1.315181          3.028316
 Vib (V=0)    1  0.333721D+01          0.523384          1.205137
 Vib (V=0)    2  0.176395D+01          0.246486          0.567555
 Vib (V=0)    3  0.147127D+01          0.167692          0.386125
 Vib (V=0)    4  0.122585D+01          0.088439          0.203637
 Vib (V=0)    5  0.120409D+01          0.080658          0.185722
 Vib (V=0)    6  0.112178D+01          0.049909          0.114920
 Vib (V=0)    7  0.111164D+01          0.045966          0.105840
 Vib (V=0)    8  0.106342D+01          0.026706          0.061493
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.204578D+06          5.310860         12.228707
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016224    0.000001202    0.000001497
      2        6           0.000018832    0.000000088   -0.000012141
      3        6          -0.000004367    0.000006677    0.000011464
      4        6          -0.000023503   -0.000003123   -0.000038861
      5        6          -0.000030882   -0.000017336    0.000016957
      6        8           0.000002542   -0.000000148   -0.000004366
      7        1           0.000003017    0.000006951    0.000001161
      8        1          -0.000000167    0.000000160   -0.000003286
      9        1           0.000000701    0.000004477   -0.000001162
     10        1           0.000002162   -0.000001163    0.000001000
     11        1           0.000002526    0.000000452    0.000001521
     12        6           0.000001922   -0.000007885   -0.000003620
     13        1           0.000001264    0.000003063   -0.000000299
     14        1           0.000000765   -0.000004508    0.000002453
     15        1           0.000006280    0.000008259    0.000018364
     16        1           0.000000289    0.000001524    0.000003994
     17        1           0.000002395    0.000001310    0.000005324
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038861 RMS     0.000010220
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.799977D+02 -0.104297D+01 -0.154609D+01
      2  -0.104297D+01  0.729182D+02 -0.141112D+01
      3  -0.154609D+01 -0.141112D+01  0.647272D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.278766D+01  0.408882D+00 -0.204611D+01
      2  -0.883056D+01 -0.273564D+01 -0.176629D+02
      3   0.561164D+01  0.141880D+02  0.228997D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.190771D+02 -0.166872D+02 -0.239994D+02
      2   0.100832D+02  0.150917D+02  0.926321D+01
      3   0.899398D+01  0.159556D+01  0.147362D+02
      4  -0.868295D+01 -0.286541D+02 -0.759958D+01
      5  -0.209021D+02 -0.547365D+01 -0.375678D+02
      6   0.154039D+00  0.191853D+01  0.528044D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.163989D+00 -0.200484D+01 -0.130695D+01 -0.188919D+01 -0.351025D+01
      2  -0.200484D+01 -0.504964D+01  0.402103D+00 -0.351025D+01 -0.423166D+00
      3  -0.130695D+01  0.402103D+00  0.498328D+00  0.582124D-01 -0.886059D+00
                 6             7             8             9            10 
      1   0.582124D-01 -0.120982D+01 -0.119776D+01  0.903162D+00 -0.631081D+01
      2  -0.886059D+00 -0.119776D+01 -0.128093D+00 -0.106868D+01  0.365855D+01
      3  -0.390394D+00  0.903162D+00 -0.106868D+01  0.494163D+01  0.113744D+01
                11            12            13            14            15 
      1   0.365855D+01  0.113744D+01  0.305719D+01  0.518984D+00 -0.719169D+00
      2   0.297881D+01 -0.198542D+01  0.518984D+00 -0.225312D+01  0.405626D+00
      3  -0.198542D+01  0.287969D+00 -0.719169D+00  0.405626D+00  0.444573D+00
                16            17            18            19            20 
      1   0.149062D+01 -0.812052D+00 -0.492890D+00  0.111978D+01 -0.272720D+01
      2  -0.812052D+00 -0.678601D+00  0.696652D+00 -0.272720D+01 -0.100362D+01
      3  -0.492890D+00  0.696652D+00  0.772403D-01  0.118386D+01  0.916160D+00
                21            22            23            24            25 
      1   0.118386D+01 -0.167755D+01  0.927956D-01  0.209564D+00 -0.818375D+00
      2   0.916160D+00  0.927956D-01  0.637722D+01  0.121637D+01  0.328368D+00
      3  -0.246679D+01  0.209564D+00  0.121637D+01 -0.170369D+00 -0.148470D+01
                26            27            28            29            30 
      1   0.328368D+00 -0.148470D+01 -0.121054D+01  0.221029D+01 -0.206887D+01
      2   0.216867D+01  0.381509D+00  0.221029D+01 -0.273957D+01  0.876155D+00
      3   0.381509D+00 -0.542342D+01 -0.206887D+01  0.876155D+00  0.390508D+01
                31            32            33            34            35 
      1   0.175906D+01 -0.213137D+01  0.773821D+00 -0.187584D+01  0.605973D+00
      2  -0.213137D+01 -0.470678D+01 -0.722479D+00  0.605973D+00  0.475883D+00
      3   0.773821D+00 -0.722479D+00  0.166012D+01  0.453708D+01  0.182287D+01
                36            37            38            39            40 
      1   0.453708D+01  0.244786D+00 -0.154790D+01  0.243678D+01 -0.750745D+00
      2   0.182287D+01 -0.154790D+01  0.330037D+01 -0.101838D+01  0.344132D+01
      3  -0.467271D+00  0.243678D+01 -0.101838D+01 -0.124700D+01 -0.127421D+01
                41            42            43            44            45 
      1   0.344132D+01 -0.127421D+01  0.258807D+01 -0.186948D+01 -0.976679D+00
      2   0.225071D+01  0.173053D+00 -0.186948D+01 -0.156872D+00 -0.322287D+01
      3   0.173053D+00 -0.226429D+01 -0.976679D+00 -0.322287D+01 -0.463932D+01
                46            47            48            49            50 
      1   0.152714D+02 -0.349806D+01 -0.207041D+01 -0.317925D+01  0.371697D+01
      2  -0.349806D+01  0.177662D+01  0.879927D+00  0.371697D+01 -0.242757D+01
      3  -0.207041D+01  0.879927D+00  0.188776D+01  0.692645D+00 -0.104560D+01
                51            52            53            54            55 
      1   0.692645D+00 -0.223008D+01  0.653866D+00  0.375649D+01 -0.657629D+00
      2  -0.104560D+01  0.653866D+00 -0.490635D+00 -0.143449D+01  0.512902D+00
      3  -0.847974D+00  0.375649D+01 -0.143449D+01 -0.200245D+01 -0.887868D+00
                56            57            58            59            60 
      1   0.512902D+00 -0.887868D+00  0.166372D+00  0.252790D+00  0.115093D+00
      2   0.501205D+00 -0.206704D-01  0.252790D+00  0.881169D+00 -0.976243D+00
      3  -0.206704D-01 -0.386829D+00  0.115093D+00 -0.976243D+00  0.585503D+00
                61            62            63            64            65 
      1  -0.159563D+01  0.301964D+00 -0.100310D+00  0.409761D+01  0.311376D+01
      2   0.301964D+00 -0.222674D+01  0.214917D+01  0.311376D+01  0.430591D+01
      3  -0.100310D+00  0.214917D+01 -0.785407D+01  0.295038D+00  0.485786D-02
                66            67            68            69            70 
      1   0.295038D+00  0.271675D+01  0.292298D+01  0.686697D-01  0.107896D+01
      2   0.485786D-02  0.292298D+01  0.592945D+01  0.481986D+00  0.854093D+00
      3   0.649467D+00  0.686697D-01  0.481986D+00  0.943352D+00  0.488494D+00
                71            72            73            74            75 
      1   0.854093D+00  0.488494D+00  0.767806D+00  0.719296D-01  0.133119D+01
      2   0.123791D+01  0.121175D+01  0.719296D-01  0.579551D+00 -0.711104D+00
      3   0.121175D+01  0.145041D-01  0.133119D+01 -0.711104D+00  0.198372D+01
                76            77            78            79            80 
      1   0.450229D+00  0.907423D-01 -0.124675D+00  0.228374D+01 -0.280041D+00
      2   0.907423D-01 -0.100238D+01  0.108159D+01 -0.280041D+00  0.149562D+01
      3  -0.124675D+00  0.108159D+01 -0.334259D+00  0.133285D+01 -0.177305D+01
                81            82            83            84            85 
      1   0.133285D+01 -0.127953D+00 -0.950803D+00 -0.433606D+00 -0.163623D+01
      2  -0.177305D+01 -0.950803D+00  0.341934D+00 -0.200051D+00 -0.509372D-01
      3   0.911833D+01 -0.433606D+00 -0.200051D+00  0.236709D+00 -0.780763D-01
                86            87            88            89            90 
      1  -0.509372D-01 -0.780763D-01 -0.571003D+00  0.128725D+00  0.440845D-01
      2  -0.917591D+01 -0.311452D+00  0.128725D+00 -0.235992D+01 -0.120230D+01
      3  -0.311452D+00 -0.125642D+01  0.440845D-01 -0.120230D+01  0.167357D+00
                91            92            93            94            95 
      1  -0.476853D+01 -0.973735D+00  0.280251D+01 -0.718736D+00 -0.760847D+00
      2  -0.973735D+00 -0.743670D+00  0.197820D+00 -0.760847D+00 -0.626035D-01
      3   0.280251D+01  0.197820D+00 -0.335548D+01  0.139741D+00  0.104154D+01
                96            97            98            99           100 
      1   0.139741D+00  0.322912D+01  0.381274D+00 -0.344462D+01  0.320827D+01
      2   0.104154D+01  0.381274D+00  0.103269D+01 -0.795730D+00 -0.254976D+01
      3  -0.743607D+00 -0.344462D+01 -0.795730D+00  0.526422D+01  0.171988D+01
               101           102           103           104           105 
      1  -0.254976D+01  0.171988D+01 -0.308769D+01  0.383674D+01 -0.116650D+01
      2   0.280236D+01 -0.102559D+01  0.383674D+01  0.563108D+01  0.536375D+00
      3  -0.102559D+01 -0.338095D+01 -0.116650D+01  0.536375D+00 -0.139738D+01
               106           107           108           109           110 
      1   0.126434D+01 -0.117510D+01 -0.388263D+01  0.521055D+00  0.743029D+00
      2  -0.117510D+01 -0.629530D+00 -0.147253D+01  0.743029D+00  0.780032D-01
      3  -0.388263D+01 -0.147253D+01  0.111875D+01  0.739270D+00  0.379658D+00
               111           112           113           114           115 
      1   0.739270D+00  0.686764D+00 -0.283017D+00  0.607644D-01  0.118638D+01
      2   0.379658D+00 -0.283017D+00  0.214943D+01  0.209199D+01  0.369843D+00
      3   0.736676D+00  0.607644D-01  0.209199D+01  0.229178D+01  0.349322D-01
               116           117           118           119           120 
      1   0.369843D+00  0.349322D-01 -0.451556D+01  0.289619D+01 -0.117676D+01
      2   0.304307D+01  0.347733D+01  0.289619D+01 -0.360741D+01  0.654343D+00
      3   0.347733D+01  0.728012D+01 -0.117676D+01  0.654343D+00 -0.941238D+00
               121           122           123           124           125 
      1   0.237439D+01 -0.275879D+01  0.570506D+00 -0.185191D+01  0.116945D+01
      2  -0.275879D+01  0.415488D+01 -0.804687D+00  0.116945D+01 -0.184849D+01
      3   0.570506D+00 -0.804687D+00  0.120271D+01 -0.993751D+00  0.153567D+01
               126           127           128           129           130 
      1  -0.993751D+00  0.195225D+01  0.518077D+00 -0.129252D+01  0.582270D+00
      2   0.153567D+01  0.518077D+00  0.550777D+00  0.271585D+00  0.806845D-02
      3  -0.650487D+00 -0.129252D+01  0.271585D+00  0.292682D+01  0.719188D-01
               131           132           133           134           135 
      1   0.806845D-02  0.719188D-01 -0.189777D+01 -0.633666D-01  0.132089D+01
      2  -0.446657D+00 -0.795686D+00 -0.633666D-01 -0.102634D+01 -0.120831D+00
      3  -0.795686D+00  0.400478D+00  0.132089D+01 -0.120831D+00 -0.586659D+01
               136           137           138           139           140 
      1  -0.772076D+01  0.202172D+01 -0.202508D+01  0.368107D+01 -0.212637D+01
      2   0.202172D+01 -0.203224D+01  0.452844D+00 -0.212637D+01  0.140506D+01
      3  -0.202508D+01  0.452844D+00 -0.130457D+01  0.116622D+01 -0.532620D+00
               141           142           143           144           145 
      1   0.116622D+01 -0.121099D+01  0.507598D+00 -0.100193D+01 -0.203512D+01
      2  -0.532620D+00  0.507598D+00 -0.145019D+00  0.613480D+00 -0.149415D+01
      3   0.129063D+01 -0.100193D+01  0.613480D+00 -0.941720D+00 -0.383920D+00
               146           147           148           149           150 
      1  -0.149415D+01 -0.383920D+00 -0.253470D+01 -0.325980D+01 -0.564515D+00
      2  -0.203940D+01 -0.742343D-01 -0.325980D+01 -0.828079D+01 -0.953711D+00
      3  -0.742343D-01 -0.296799D-01 -0.564515D+00 -0.953711D+00 -0.141444D+01
               151           152           153 
      1   0.140166D+00  0.966485D-01 -0.404825D-01
      2   0.966485D-01  0.236410D+00 -0.797953D+00
      3  -0.404825D-01 -0.797953D+00 -0.136816D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.499314D+01  0.427870D+01 -0.162176D+01  0.174283D+01  0.260562D+01
      2  -0.107548D+01 -0.141886D+01  0.145796D+01 -0.162793D+01 -0.300138D+01
      3   0.437349D+01  0.389641D+00 -0.438099D+01  0.621858D+01 -0.412993D+01
                 6             7             8             9            10 
      1  -0.468744D+01 -0.451681D+01  0.498258D+01 -0.670845D+01 -0.278718D+01
      2  -0.983399D+00 -0.292400D+01 -0.269610D+01  0.746389D+01 -0.395300D+01
      3  -0.133364D+00 -0.331130D+01 -0.311265D+01  0.414455D+01  0.195205D+01
                11            12            13            14            15 
      1   0.781797D+01 -0.306254D+01  0.567168D+01  0.551426D+01  0.149628D+01
      2  -0.720680D+01 -0.562137D+01 -0.393823D+01 -0.245162D+00  0.191449D+01
      3  -0.274253D+01  0.403881D+01  0.161160D+01 -0.196597D+01 -0.227996D+01
                16            17            18            19            20 
      1   0.188341D+01  0.170215D+02 -0.696279D+01 -0.573279D+00 -0.408123D+00
      2  -0.118406D+02 -0.175416D+01  0.677582D+01 -0.381336D+01  0.434466D+01
      3   0.233132D+01 -0.529748D+01  0.229417D+00 -0.557387D+00  0.303577D+01
                21            22            23            24            25 
      1  -0.496660D+01  0.120063D+01  0.849377D+01 -0.289557D+01 -0.361375D+00
      2   0.137392D+01  0.358641D+01 -0.628304D+00  0.261730D+01 -0.472854D+01
      3  -0.219530D+01  0.780944D+01 -0.564659D+01  0.106218D+01 -0.145044D+01
                26            27            28            29            30 
      1   0.503232D+01 -0.735525D+01  0.135081D+01 -0.188880D+01  0.944404D+00
      2   0.127608D+01 -0.232866D+01  0.792793D+01 -0.185069D+01 -0.127104D+01
      3   0.765865D+00  0.130759D+01  0.458011D+01 -0.861928D+01  0.151309D+01
                31            32            33            34            35 
      1  -0.286806D+01 -0.321211D+01 -0.307405D+01 -0.157177D+00  0.460840D+01
      2  -0.338041D+01  0.123149D+01 -0.223832D+01 -0.873131D+01 -0.386988D+01
      3  -0.239973D+01 -0.646031D+01  0.556380D-02  0.926695D+00  0.532912D-01
                36            37            38            39            40 
      1   0.509918D+00 -0.415432D+01  0.523576D+01  0.180240D+01  0.547487D+01
      2   0.794956D-02 -0.604372D+01  0.323732D+01  0.185989D+01  0.240062D+01
      3   0.128085D+01 -0.485722D+01 -0.149381D+01  0.320960D+01  0.484921D+01
                41            42            43            44            45 
      1   0.269030D+01  0.194805D+01  0.148849D+01  0.893161D+01  0.461233D+01
      2  -0.231332D+01  0.253404D+01 -0.413330D+01  0.452320D+01  0.398027D+01
      3   0.844170D+01 -0.158542D+01  0.332120D+01 -0.328117D+01 -0.377446D+01
                46            47            48            49            50 
      1   0.108381D+01 -0.497230D+01  0.396067D+01 -0.168878D+01 -0.105347D+00
      2  -0.744696D+00  0.152010D+01  0.129958D+02  0.120883D+01 -0.109052D+01
      3  -0.195515D+01 -0.127118D+02 -0.204930D-01 -0.129991D+01  0.640180D+01
                51            52            53            54            55 
      1  -0.307487D+01 -0.409086D+00 -0.304289D+01  0.145554D+01  0.145518D+00
      2  -0.379991D+01  0.402499D+01  0.685620D-01 -0.607215D+01 -0.180551D+01
      3   0.998873D+00  0.160699D+01  0.413003D+01  0.267332D+00 -0.177624D+01
                56            57            58            59            60 
      1   0.904443D+00  0.714020D+00  0.135191D+01  0.467321D-01 -0.747545D+00
      2   0.272198D+00 -0.372995D-01 -0.146930D+00 -0.534618D+00  0.107830D+00
      3  -0.100812D+01 -0.679729D+00  0.496750D+00  0.783239D+00  0.336999D+00
                61            62            63            64            65 
      1   0.808102D+00 -0.221467D+01  0.137008D+02 -0.151886D+01 -0.522585D+01
      2  -0.334877D+01  0.278114D+01 -0.886843D+01  0.201367D+01  0.219417D+01
      3  -0.279787D+01  0.293631D+01 -0.213084D+01  0.406282D+01 -0.375943D+00
                66            67            68            69            70 
      1  -0.159317D+01 -0.237283D+01 -0.414197D+01 -0.283081D+01 -0.128206D+01
      2   0.229199D+01  0.179229D+01  0.306979D+01  0.152747D+01  0.198127D+00
      3   0.607942D+00  0.441895D+01 -0.273151D+00 -0.424081D+00  0.161808D+01
                71            72            73            74            75 
      1  -0.181664D+01 -0.694760D+00 -0.101823D+00 -0.100846D+01  0.408429D+01
      2   0.162950D+01  0.284562D+00  0.771302D+00 -0.133218D-01 -0.588409D+00
      3  -0.207334D+00 -0.159242D+00 -0.273829D+00 -0.168958D+01 -0.143357D+01
                76            77            78            79            80 
      1  -0.125004D+01  0.809023D-01  0.252005D+00  0.107251D+01 -0.961669D-01
      2  -0.649891D+00  0.761372D-01  0.315625D-02 -0.397240D+01  0.404307D+00
      3   0.374084D+00  0.178591D+00 -0.158737D-01 -0.263685D+01  0.176343D+00
                81            82            83            84            85 
      1   0.114442D+02  0.425691D-01  0.141916D+00 -0.463506D+00 -0.138945D+01
      2   0.821859D+00 -0.913188D+00  0.139802D-01  0.160625D+01  0.135332D+01
      3  -0.212426D+01  0.401411D+00 -0.978006D+00  0.866071D+00  0.543996D+01
                86            87            88            89            90 
      1  -0.109671D+02 -0.373862D+01 -0.415890D+00 -0.298288D+01 -0.151836D+01
      2   0.164765D+00 -0.617708D+00 -0.187465D+00  0.217666D-01 -0.332154D+00
      3   0.265931D+01 -0.303605D-01  0.194639D+01  0.101645D+01  0.139983D+00
                91            92            93            94            95 
      1  -0.425669D+00 -0.161834D+01 -0.697118D+00 -0.379099D+00  0.779623D-01
      2   0.396565D+00  0.355420D+00  0.418449D+01  0.483477D+00 -0.912825D+00
      3   0.180829D+00 -0.261281D+01 -0.620211D+00  0.510233D+00 -0.174021D-01
                96            97            98            99           100 
      1  -0.269476D+00  0.177059D+00  0.272763D+01  0.144627D+00  0.454171D+01
      2   0.135139D+01  0.483568D-01  0.893797D+00 -0.549655D+01  0.989161D-01
      3   0.144615D+01 -0.891185D+00  0.281782D+01 -0.273152D+00 -0.880462D+01
               101           102           103           104           105 
      1  -0.431454D+01 -0.235533D+01 -0.644382D+01 -0.645460D+01 -0.445624D+01
      2   0.189775D+00  0.134365D+02  0.271206D+00  0.280199D+01  0.201737D+01
      3   0.672772D+01 -0.397796D+01  0.132524D+02  0.989452D+01  0.190969D+01
               106           107           108           109           110 
      1  -0.161645D+01  0.389027D+00  0.325428D+01  0.141384D+00 -0.623430D+00
      2   0.778089D+01  0.211393D+01 -0.675635D+01 -0.891221D+00 -0.102231D+01
      3  -0.377548D+01  0.319561D+00 -0.419136D+00  0.188543D+01  0.187207D+00
               111           112           113           114           115 
      1  -0.858011D+00 -0.333898D+00 -0.118413D+01 -0.345759D+01  0.559773D-02
      2  -0.128670D-01 -0.132227D+01 -0.142020D+01 -0.190486D+01 -0.312171D+01
      3   0.126154D+01  0.202815D+01  0.651295D+00  0.199563D+01  0.295067D+01
               116           117           118           119           120 
      1  -0.452579D+00 -0.972495D+01  0.269396D+01 -0.202564D+01  0.268172D+01
      2  -0.280591D+01 -0.584360D+01  0.305501D+01 -0.220010D+01  0.312746D+01
      3   0.292396D+01  0.237820D+01 -0.563595D+01 -0.118188D+01 -0.120693D+01
               121           122           123           124           125 
      1  -0.227587D+01  0.270354D+01 -0.378543D+01  0.168396D+01 -0.168686D+01
      2  -0.142765D+01  0.213909D+01 -0.226576D+01  0.857067D+00 -0.225873D+01
      3   0.344723D+01 -0.122254D+00  0.919465D-01 -0.297517D+01 -0.101362D+01
               126           127           128           129           130 
      1   0.226107D+01 -0.224592D+01 -0.178551D+01  0.256747D+01 -0.406231D+00
      2   0.175256D+01  0.695506D+01  0.683128D+00 -0.676000D+01  0.117408D+01
      3   0.101839D+00 -0.896126D+00 -0.377864D+00  0.133340D+01  0.542956D+00
               131           132           133           134           135 
      1  -0.516535D+00  0.354992D+00  0.196551D+01  0.324619D+01 -0.463893D+01
      2   0.175067D+01 -0.822099D+00 -0.838965D+01 -0.330041D+00  0.133769D+02
      3  -0.625334D+00 -0.138035D+01  0.124139D+01 -0.134549D+01 -0.129052D+01
               136           137           138           139           140 
      1  -0.389647D+01  0.323950D+01 -0.729771D+00  0.261725D+01 -0.224847D+01
      2  -0.248308D+01  0.103127D+01  0.360184D+01  0.117355D+01 -0.628685D+00
      3   0.881280D+01 -0.856246D+01  0.234246D+01 -0.545103D+01  0.568534D+01
               141           142           143           144           145 
      1   0.781499D-01 -0.115022D+01  0.162063D+01 -0.117478D+01  0.710620D+00
      2  -0.299326D+01 -0.612259D+00 -0.101553D+01  0.173439D+01 -0.268620D+00
      3  -0.153854D+01  0.214772D+01 -0.111950D+01  0.218193D+01 -0.971799D+00
               146           147           148           149           150 
      1   0.225269D+01 -0.407160D+00  0.212235D+01  0.732298D+01 -0.347789D+01
      2  -0.835695D+00  0.720916D+00 -0.950462D+00 -0.458922D+00  0.355227D+01
      3  -0.444791D+01  0.477949D-01 -0.184569D+01 -0.159759D+02 -0.123215D+01
               151           152           153 
      1   0.303815D+00  0.194431D+00  0.690023D+00
      2  -0.922682D+00  0.153913D+01  0.272732D+00
      3  -0.252155D+00  0.237610D+00 -0.186008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.410263D+00  0.277431D+01  0.517819D+00 -0.364076D+01 -0.486771D+01
      2  -0.497817D+01 -0.160484D+02  0.769388D+00 -0.687497D+01  0.975022D+00
      3   0.456791D+01  0.132741D+02 -0.128721D+01  0.105157D+02  0.389269D+01
      4  -0.596187D+01 -0.141622D+02 -0.359633D+01 -0.649862D+01 -0.153538D+02
      5  -0.306210D+00 -0.221967D+01  0.477873D+00 -0.151778D+01 -0.161586D+01
      6  -0.402689D+01 -0.529977D+00  0.301558D+01 -0.207404D+01 -0.403042D+01
                 6             7             8             9            10 
      1   0.214918D+01  0.496207D+01 -0.469200D+01  0.108973D+02 -0.408618D+02
      2  -0.371381D+01 -0.302324D+01 -0.535296D+01  0.361605D+01  0.207109D+02
      3   0.156464D+01 -0.193883D+01  0.100450D+02 -0.145134D+02  0.201509D+02
      4  -0.148009D+01 -0.777605D+01 -0.465754D+00 -0.338878D+01  0.173520D+02
      5  -0.139518D+01 -0.160865D+00 -0.114394D+01  0.407882D+01  0.950618D+01
      6   0.349352D+01  0.368690D+01 -0.384189D+01  0.153239D+02 -0.450754D+01
                11            12            13            14            15 
      1   0.636817D+01  0.151995D+01  0.155021D+02  0.277356D+00 -0.517790D+01
      2   0.245629D+01 -0.566971D+01 -0.976365D+01 -0.274692D+01  0.184365D+01
      3  -0.882446D+01  0.414976D+01 -0.573844D+01  0.246956D+01  0.333425D+01
      4  -0.118444D+02 -0.248947D+01 -0.248380D+01  0.270921D+01  0.121350D+01
      5  -0.173725D+01 -0.108258D+02 -0.238644D+01  0.203074D+01  0.480812D+01
      6   0.671390D+01  0.351385D+01  0.232060D+01  0.877887D+00 -0.391859D+01
                16            17            18            19            20 
      1   0.103807D+02 -0.432628D+01 -0.713924D+01 -0.213200D+01 -0.300963D+01
      2  -0.505362D+01  0.242068D+01 -0.810758D+00  0.387980D+01  0.158421D+01
      3  -0.532712D+01  0.190560D+01  0.795000D+01 -0.174780D+01  0.142543D+01
      4  -0.189784D+01  0.588307D+01  0.316219D+01 -0.258381D+00  0.291958D+01
      5   0.143759D+01  0.122110D+01  0.749833D+01 -0.406435D+01 -0.118802D+01
      6   0.181059D+01  0.263403D+00  0.510669D+00 -0.368387D+01 -0.288028D+01
                21            22            23            24            25 
      1   0.570036D+01  0.434847D+01  0.742514D+01  0.287572D+01 -0.431786D+00
      2   0.318498D+01 -0.376792D+01 -0.194983D+02 -0.283422D+01  0.195367D+01
      3  -0.888534D+01 -0.580547D+00  0.120731D+02 -0.414962D-01 -0.152189D+01
      4  -0.529002D+00 -0.808228D-01  0.283368D+01 -0.301966D+00 -0.842342D+00
      5   0.727296D+00 -0.148358D+01  0.274347D-02  0.341265D+01  0.287505D+01
      6   0.556735D+01  0.721628D+00 -0.362147D+01  0.341981D+01  0.116175D+01
                26            27            28            29            30 
      1   0.138585D+01  0.182275D+02  0.636038D+00 -0.370680D+01  0.529662D+01
      2  -0.831019D+01  0.463803D+01  0.294462D+01  0.133422D+01 -0.483235D+01
      3   0.692434D+01 -0.228655D+02 -0.358066D+01  0.237258D+01 -0.464267D+00
      4  -0.191858D+01  0.323715D+01 -0.356278D+01  0.183086D+01 -0.156334D+01
      5   0.276334D+01 -0.105736D+02  0.119404D+02  0.119001D+01 -0.173972D+02
      6   0.654502D+00  0.112931D+02  0.259095D+01 -0.168937D+01 -0.441402D+01
                31            32            33            34            35 
      1  -0.669076D+01  0.677533D+01 -0.319522D+01  0.179310D+01 -0.357540D+01
      2   0.464222D+01 -0.400944D+01  0.205007D+01 -0.485001D+01  0.115538D+01
      3   0.204854D+01 -0.276589D+01  0.114516D+01  0.305691D+01  0.242002D+01
      4   0.428604D+01  0.729043D+01  0.392465D+00 -0.458099D+01 -0.244909D+01
      5  -0.669011D+00  0.804435D+00 -0.540835D+01 -0.205969D+02 -0.702465D+01
      6   0.476832D+00 -0.114851D+01 -0.150300D+01 -0.477127D+01 -0.281430D+00
                36            37            38            39            40 
      1  -0.154092D+02 -0.275948D+01  0.134274D+01 -0.324374D+00  0.287051D+01
      2   0.127571D+02 -0.410574D+01  0.956911D+01 -0.144835D+01  0.720948D+01
      3   0.265217D+01  0.686522D+01 -0.109119D+02  0.177273D+01 -0.100800D+02
      4  -0.853939D+01  0.399454D+01 -0.123547D+02  0.808748D+01 -0.106582D+02
      5   0.100846D+02 -0.643224D+01  0.338867D+01  0.166007D+01  0.108796D+01
      6   0.146302D+01  0.567105D+01 -0.426209D+01 -0.326704D+01 -0.364144D+01
                41            42            43            44            45 
      1  -0.580531D+01  0.575517D+01 -0.103589D+01  0.952505D+01  0.140140D+02
      2   0.727321D+01  0.203633D+01 -0.213590D+01  0.226614D+01 -0.538543D+01
      3  -0.146790D+01 -0.779150D+01  0.317179D+01 -0.117912D+02 -0.862861D+01
      4   0.630816D+01 -0.291545D+01  0.121168D+02 -0.259183D+01  0.639042D+01
      5  -0.241033D+01  0.191106D+01  0.266684D+01  0.409879D+01  0.226550D+01
      6   0.202663D+01 -0.922979D+01 -0.984854D+00 -0.112987D+02 -0.190305D+02
                46            47            48            49            50 
      1   0.851227D+02 -0.125810D+02 -0.636222D+01 -0.139868D+02  0.953700D+01
      2  -0.446333D+02  0.302673D+01  0.601289D+01  0.462833D+01  0.607159D+00
      3  -0.404895D+02  0.955426D+01  0.349329D+00  0.935843D+01 -0.101442D+02
      4  -0.252755D+02  0.232221D+02  0.425870D+01  0.238465D+02 -0.155575D+02
      5  -0.116448D+02  0.300433D+01  0.218029D+02  0.408904D+01 -0.406390D+01
      6   0.761942D+01 -0.431668D+01 -0.546990D+01 -0.437271D+01  0.406098D+01
                51            52            53            54            55 
      1   0.179117D+01 -0.800546D+01  0.206438D+01  0.104646D+02 -0.234579D+01
      2  -0.103269D+01  0.657074D+01 -0.201246D+00 -0.108045D+02 -0.550178D+00
      3  -0.758479D+00  0.143472D+01 -0.186313D+01  0.339942D+00  0.289597D+01
      4  -0.508517D+01  0.535721D+01 -0.549148D+01 -0.728122D+01  0.157664D+00
      5  -0.651214D+01  0.228566D+02 -0.662878D+01 -0.121605D+02 -0.216679D+00
      6   0.720848D+01 -0.581216D+01  0.785321D+01  0.382619D+01 -0.253524D+01
                56            57            58            59            60 
      1   0.709800D+00 -0.169816D+01 -0.955144D-02 -0.455947D+01  0.316061D+01
      2   0.775189D+00  0.407834D+00  0.820145D+00  0.354384D+01 -0.355162D+01
      3  -0.148499D+01  0.129032D+01 -0.810594D+00  0.101562D+01  0.391006D+00
      4   0.445507D+01 -0.219033D+01  0.209039D+01  0.255951D+01 -0.940477D+00
      5  -0.104152D+01  0.466953D+01  0.407973D+00 -0.419874D+00 -0.334740D+00
      6  -0.239206D-01 -0.185959D+01 -0.101919D+00 -0.430362D+01  0.647287D+01
                61            62            63            64            65 
      1  -0.337841D+01  0.910987D+01 -0.193001D+02  0.785441D+01 -0.520148D+00
      2   0.151891D+01 -0.332149D+01 -0.827397D+01  0.448075D+01  0.127312D+02
      3   0.185950D+01 -0.578839D+01  0.275741D+02 -0.123352D+02 -0.122111D+02
      4  -0.275488D+01 -0.320563D+01  0.465145D+01  0.201100D+02  0.229438D+02
      5   0.480377D+01  0.203258D+01 -0.754124D+01  0.111763D+01  0.661309D+00
      6  -0.253187D+00  0.119329D+02 -0.237893D+02  0.111779D+01  0.431380D+00
                66            67            68            69            70 
      1   0.453177D+00 -0.228147D+00 -0.894452D+01  0.474900D-01  0.833775D+00
      2   0.988482D-01  0.100741D+02  0.255865D+02  0.166245D+01  0.833128D+00
      3  -0.552026D+00 -0.984598D+01 -0.166420D+02 -0.170994D+01 -0.166690D+01
      4   0.107494D+01  0.166221D+02  0.237555D+02  0.153263D+01  0.486903D+01
      5   0.393602D+01  0.708772D+00  0.223707D+01  0.232575D+01  0.332743D+01
      6   0.316702D+01  0.355798D+00  0.126611D+01  0.517254D+01  0.301132D+01
                71            72            73            74            75 
      1  -0.438581D+00 -0.286001D+01  0.239998D+00  0.234366D+01 -0.392473D+01
      2   0.496979D+01  0.246438D+01 -0.402276D+01 -0.583478D+00 -0.299744D+01
      3  -0.453121D+01  0.395625D+00  0.378276D+01 -0.176018D+01  0.692216D+01
      4   0.457484D+01  0.508539D+01 -0.151065D+01  0.297972D+01 -0.372387D+01
      5   0.388927D+01  0.167850D+01  0.499543D+01 -0.218646D+01  0.912463D+01
      6   0.691134D+01  0.614994D+00 -0.258350D+01  0.302334D+01 -0.504264D+01
                76            77            78            79            80 
      1   0.203785D+00 -0.599894D+01  0.235440D+01 -0.128137D+01  0.681067D+01
      2   0.552662D+00  0.368194D+01 -0.322168D+01 -0.247235D+01 -0.791462D+00
      3  -0.756446D+00  0.231699D+01  0.867288D+00  0.375371D+01 -0.601920D+01
      4   0.113484D+01 -0.469800D+00  0.126293D+01 -0.398787D+01  0.206089D+01
      5   0.345781D+00  0.144139D+01 -0.192267D+00  0.652481D+01 -0.228778D+01
      6   0.130105D+01 -0.347608D+01  0.653920D+01 -0.266875D+01  0.100239D+02
                81            82            83            84            85 
      1  -0.260918D+02  0.173628D+00  0.345995D+00 -0.101208D+01 -0.136357D+01
      2  -0.135627D+02  0.296533D+01 -0.867214D+00  0.481943D+00  0.136681D+01
      3   0.396545D+02 -0.313896D+01  0.521219D+00  0.530137D+00 -0.323935D-02
      4  -0.322703D+01 -0.143241D+00  0.784619D+01  0.538728D+00  0.662690D+01
      5   0.114396D+02 -0.580047D+00 -0.107312D+01  0.183774D+01 -0.356981D+00
      6  -0.202359D+02  0.677918D+00  0.448767D+00 -0.270539D+00  0.454956D+00
                86            87            88            89            90 
      1  -0.240799D+02  0.628673D+00 -0.299254D+00 -0.353188D+01 -0.532980D+01
      2   0.428124D+02  0.183919D+01  0.563339D-01  0.841394D+01  0.346861D+01
      3  -0.187325D+02 -0.246787D+01  0.242921D+00 -0.488206D+01  0.186119D+01
      4  -0.160198D+01  0.333936D-01  0.237082D+01 -0.126103D+01 -0.192853D+00
      5   0.289652D+00 -0.547449D+00  0.745685D+00 -0.120680D+00  0.704376D+00
      6  -0.375763D+01  0.631884D+01  0.176808D+00  0.599578D+01  0.767320D+00
                91            92            93            94            95 
      1   0.167099D+02  0.227233D+01 -0.769178D+01  0.236267D+01  0.159442D+00
      2  -0.146255D+02 -0.187852D+01  0.965927D+01 -0.148043D+01  0.223189D-01
      3  -0.208439D+01 -0.393811D+00 -0.196749D+01 -0.882241D+00 -0.181761D+00
      4   0.505951D+01  0.513216D+01 -0.201386D+01  0.544625D+01  0.128257D+01
      5  -0.200289D+02 -0.224046D+01  0.198780D+02 -0.197896D+01 -0.539169D+01
      6  -0.278542D+01 -0.249619D+01  0.335496D+01 -0.273828D+01 -0.198746D+01
                96            97            98            99           100 
      1   0.612671D-01 -0.697039D+01 -0.667536D-03  0.216938D+01 -0.175623D+02
      2   0.120063D+00  0.114243D+02  0.110755D+01 -0.154134D+02  0.113658D+02
      3  -0.181330D+00 -0.445389D+01 -0.110688D+01  0.132440D+02  0.619648D+01
      4  -0.401179D+01 -0.237874D+01 -0.351451D+01  0.306413D+01  0.114901D+02
      5   0.310619D+01  0.208467D+02  0.347498D+01 -0.260699D+02 -0.105614D+02
      6   0.544716D+01  0.289477D+01  0.494556D+01 -0.513465D+01  0.345105D+01
               101           102           103           104           105 
      1   0.156639D+02 -0.156100D+02  0.202539D+02 -0.101905D+02  0.465167D+01
      2  -0.141037D+02 -0.193622D+00 -0.185703D+02 -0.938548D+01 -0.554466D+01
      3  -0.156017D+01  0.158037D+02 -0.168361D+01  0.195760D+02  0.892990D+00
      4  -0.108345D+02  0.287743D+01 -0.160825D+02 -0.257325D+02 -0.161504D+01
      5   0.703953D+01  0.804951D+01  0.881988D+01 -0.404345D+01  0.566272D+01
      6  -0.340719D+01  0.605756D+01 -0.466670D+01 -0.535965D+01  0.237675D+01
               106           107           108           109           110 
      1  -0.121027D+02  0.425227D+01  0.183070D+02 -0.136666D+01 -0.272256D+01
      2   0.126448D+00 -0.383448D+01 -0.462163D+01  0.245660D+00  0.107491D+01
      3   0.119762D+02 -0.417794D+00 -0.136853D+02  0.112100D+01  0.164765D+01
      4   0.455221D+01  0.214952D+01  0.105376D+02 -0.215534D+00  0.454609D+01
      5   0.100177D+02  0.654134D+01  0.337351D+01  0.521132D+00  0.164867D+01
      6   0.669113D+01  0.200924D+01  0.558958D+00  0.334614D+01  0.235496D+01
               111           112           113           114           115 
      1  -0.264380D+01 -0.655461D+00 -0.910595D+01 -0.868972D+01 -0.201095D+01
      2   0.119378D+01 -0.584756D+00  0.810444D+01  0.554931D+01  0.116064D+01
      3   0.145003D+01  0.124022D+01  0.100151D+01  0.314041D+01  0.850311D+00
      4   0.235791D+01  0.424021D+01 -0.336894D+01 -0.212651D+01  0.343823D+01
      5   0.459172D+01  0.116499D+01 -0.176925D+01 -0.196183D+01  0.450098D+01
      6   0.325004D+01  0.473039D+00  0.118180D+02  0.140175D+02 -0.470594D+00
               116           117           118           119           120 
      1  -0.127273D+02 -0.207900D+02  0.101766D+02 -0.106920D+01  0.184071D+01
      2   0.674440D+01 -0.141078D+01  0.297813D+01 -0.996628D+01  0.792554D+00
      3   0.598295D+01  0.222008D+02 -0.131548D+02  0.110355D+02 -0.263327D+01
      4  -0.445173D+01 -0.516321D+01 -0.206695D+02  0.193766D+02 -0.507335D+01
      5  -0.390808D+01 -0.708907D+01  0.364368D+01 -0.194156D+01  0.442846D+01
      6   0.183353D+02  0.288916D+02 -0.344158D+01  0.186506D+01 -0.380925D+01
               121           122           123           124           125 
      1  -0.127511D+01 -0.405312D+01  0.239989D-01  0.221008D+01  0.888270D+00
      2  -0.840622D+01  0.170173D+02 -0.348235D+01  0.143303D+01 -0.665086D+01
      3   0.968132D+01 -0.129642D+02  0.345835D+01 -0.364311D+01  0.576259D+01
      4   0.162563D+02 -0.189182D+02  0.393343D+01 -0.841858D+01  0.798491D+01
      5  -0.169348D+01  0.222759D+01 -0.269377D+01  0.479399D+01 -0.392044D+01
      6   0.177817D+01 -0.351645D+01  0.615456D+01 -0.382815D+01  0.704354D+01
               126           127           128           129           130 
      1  -0.171242D+01 -0.532276D+01 -0.118853D+01  0.107559D+02 -0.281772D+01
      2   0.239533D+01 -0.614015D+00  0.602659D+00  0.185550D+01  0.207066D+01
      3  -0.682908D+00  0.593677D+01  0.585870D+00 -0.126114D+02  0.747060D+00
      4  -0.599255D+01 -0.388892D+01 -0.518660D-01  0.124673D+01  0.216243D+01
      5   0.370228D+01 -0.224933D+01 -0.133808D+01 -0.267838D+01 -0.132328D+01
      6  -0.302251D+01  0.651336D+00 -0.254603D+01 -0.391603D+01 -0.827516D+00
               131           132           133           134           135 
      1  -0.198670D+01 -0.389094D+00  0.106890D+02 -0.102236D+01 -0.197803D+02
      2   0.138844D+01  0.191651D+01 -0.964673D+00  0.145670D+01 -0.869799D+01
      3   0.598258D+00 -0.152741D+01 -0.972428D+01 -0.434342D+00  0.284783D+02
      4   0.212489D+01  0.179517D+01  0.237705D+01  0.266113D+01 -0.273550D+01
      5   0.132745D+01 -0.144608D+01  0.277488D+01  0.101810D+00  0.109195D+02
      6   0.879101D+00  0.371845D+01 -0.157670D+01  0.465406D+01  0.642866D+01
               136           137           138           139           140 
      1   0.487797D+02 -0.129344D+02  0.940890D+01 -0.212707D+02  0.970240D+01
      2  -0.284867D+02  0.846721D+01 -0.777148D+01  0.126486D+02 -0.317916D+01
      3  -0.202930D+02  0.446718D+01 -0.163742D+01  0.862214D+01 -0.652324D+01
      4  -0.821928D+01  0.115979D+02 -0.157349D+01  0.116537D+02 -0.820997D+01
      5   0.192659D+02 -0.498874D+01  0.118829D+02 -0.961822D+01  0.465528D+01
      6  -0.317682D+01  0.410700D+01 -0.111154D+01  0.398615D+01 -0.319560D+01
               141           142           143           144           145 
      1  -0.403626D+01  0.630266D+01 -0.170387D+01  0.389422D+01  0.891114D+01
      2   0.443221D+01 -0.572480D+01  0.237043D+01 -0.557370D+01 -0.886545D+00
      3  -0.395951D+00 -0.577861D+00 -0.666562D+00  0.167949D+01 -0.802459D+01
      4   0.260090D+01 -0.141192D+01  0.880253D+00 -0.327828D+01  0.104988D+02
      5  -0.754934D+01  0.102889D+02 -0.446330D+01  0.601635D+01  0.354751D+01
      6   0.175813D+01 -0.154685D+01  0.196476D+01 -0.642129D+00  0.161519D+01
               146           147           148           149           150 
      1   0.452073D+01  0.171230D+01  0.709246D+01 -0.289665D+01 -0.107039D+01
      2   0.252119D+01 -0.513290D+00  0.404458D+01  0.250310D+02  0.497661D-01
      3  -0.704192D+01 -0.119901D+01 -0.111370D+02 -0.221344D+02  0.102062D+01
      4   0.153159D+02  0.900010D+00  0.214360D+02  0.393058D+02  0.416598D+01
      5   0.161125D+01  0.256184D+01  0.440335D+01  0.469800D+01  0.681465D+01
      6   0.320733D+01  0.123419D+01  0.500829D+01  0.120571D+02  0.728072D+01
               151           152           153 
      1  -0.624481D+00 -0.107722D+01 -0.271240D+01
      2   0.178141D+00 -0.150159D+01  0.206393D+01
      3   0.446340D+00  0.257881D+01  0.648469D+00
      4  -0.103213D+01 -0.844965D+00  0.367048D+01
      5   0.229462D+01  0.433147D+01  0.126959D+00
      6   0.143628D+01  0.575270D+01  0.765422D+00
 Leave Link  716 at Fri Jul 23 18:02:56 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.799977D+02 -0.104297D+01 -0.154609D+01
      2  -0.104297D+01  0.729182D+02 -0.141112D+01
      3  -0.154609D+01 -0.141112D+01  0.647272D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.278766D+01  0.408882D+00 -0.204611D+01
      2  -0.883056D+01 -0.273564D+01 -0.176629D+02
      3   0.561164D+01  0.141880D+02  0.228997D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.190771D+02 -0.166872D+02 -0.239994D+02
      2   0.100832D+02  0.150917D+02  0.926321D+01
      3   0.899398D+01  0.159556D+01  0.147362D+02
      4  -0.868295D+01 -0.286541D+02 -0.759958D+01
      5  -0.209021D+02 -0.547365D+01 -0.375678D+02
      6   0.154039D+00  0.191853D+01  0.528044D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.163989D+00 -0.200484D+01 -0.130695D+01 -0.188919D+01 -0.351025D+01
      2  -0.200484D+01 -0.504964D+01  0.402103D+00 -0.351025D+01 -0.423166D+00
      3  -0.130695D+01  0.402103D+00  0.498328D+00  0.582124D-01 -0.886059D+00
                 6             7             8             9            10 
      1   0.582124D-01 -0.120982D+01 -0.119776D+01  0.903162D+00 -0.631081D+01
      2  -0.886059D+00 -0.119776D+01 -0.128093D+00 -0.106868D+01  0.365855D+01
      3  -0.390394D+00  0.903162D+00 -0.106868D+01  0.494163D+01  0.113744D+01
                11            12            13            14            15 
      1   0.365855D+01  0.113744D+01  0.305719D+01  0.518984D+00 -0.719169D+00
      2   0.297881D+01 -0.198542D+01  0.518984D+00 -0.225312D+01  0.405626D+00
      3  -0.198542D+01  0.287969D+00 -0.719169D+00  0.405626D+00  0.444573D+00
                16            17            18            19            20 
      1   0.149062D+01 -0.812052D+00 -0.492890D+00  0.111978D+01 -0.272720D+01
      2  -0.812052D+00 -0.678601D+00  0.696652D+00 -0.272720D+01 -0.100362D+01
      3  -0.492890D+00  0.696652D+00  0.772403D-01  0.118386D+01  0.916160D+00
                21            22            23            24            25 
      1   0.118386D+01 -0.167755D+01  0.927956D-01  0.209564D+00 -0.818375D+00
      2   0.916160D+00  0.927956D-01  0.637722D+01  0.121637D+01  0.328368D+00
      3  -0.246679D+01  0.209564D+00  0.121637D+01 -0.170369D+00 -0.148470D+01
                26            27            28            29            30 
      1   0.328368D+00 -0.148470D+01 -0.121054D+01  0.221029D+01 -0.206887D+01
      2   0.216867D+01  0.381509D+00  0.221029D+01 -0.273957D+01  0.876155D+00
      3   0.381509D+00 -0.542342D+01 -0.206887D+01  0.876155D+00  0.390508D+01
                31            32            33            34            35 
      1   0.175906D+01 -0.213137D+01  0.773821D+00 -0.187584D+01  0.605973D+00
      2  -0.213137D+01 -0.470678D+01 -0.722479D+00  0.605973D+00  0.475883D+00
      3   0.773821D+00 -0.722479D+00  0.166012D+01  0.453708D+01  0.182287D+01
                36            37            38            39            40 
      1   0.453708D+01  0.244786D+00 -0.154790D+01  0.243678D+01 -0.750745D+00
      2   0.182287D+01 -0.154790D+01  0.330037D+01 -0.101838D+01  0.344132D+01
      3  -0.467271D+00  0.243678D+01 -0.101838D+01 -0.124700D+01 -0.127421D+01
                41            42            43            44            45 
      1   0.344132D+01 -0.127421D+01  0.258807D+01 -0.186948D+01 -0.976679D+00
      2   0.225071D+01  0.173053D+00 -0.186948D+01 -0.156872D+00 -0.322287D+01
      3   0.173053D+00 -0.226429D+01 -0.976679D+00 -0.322287D+01 -0.463932D+01
                46            47            48            49            50 
      1   0.152714D+02 -0.349806D+01 -0.207041D+01 -0.317925D+01  0.371697D+01
      2  -0.349806D+01  0.177662D+01  0.879927D+00  0.371697D+01 -0.242757D+01
      3  -0.207041D+01  0.879927D+00  0.188776D+01  0.692645D+00 -0.104560D+01
                51            52            53            54            55 
      1   0.692645D+00 -0.223008D+01  0.653866D+00  0.375649D+01 -0.657629D+00
      2  -0.104560D+01  0.653866D+00 -0.490635D+00 -0.143449D+01  0.512902D+00
      3  -0.847974D+00  0.375649D+01 -0.143449D+01 -0.200245D+01 -0.887868D+00
                56            57            58            59            60 
      1   0.512902D+00 -0.887868D+00  0.166372D+00  0.252790D+00  0.115093D+00
      2   0.501205D+00 -0.206704D-01  0.252790D+00  0.881169D+00 -0.976243D+00
      3  -0.206704D-01 -0.386829D+00  0.115093D+00 -0.976243D+00  0.585503D+00
                61            62            63            64            65 
      1  -0.159563D+01  0.301964D+00 -0.100310D+00  0.409761D+01  0.311376D+01
      2   0.301964D+00 -0.222674D+01  0.214917D+01  0.311376D+01  0.430591D+01
      3  -0.100310D+00  0.214917D+01 -0.785407D+01  0.295038D+00  0.485786D-02
                66            67            68            69            70 
      1   0.295038D+00  0.271675D+01  0.292298D+01  0.686697D-01  0.107896D+01
      2   0.485786D-02  0.292298D+01  0.592945D+01  0.481986D+00  0.854093D+00
      3   0.649467D+00  0.686697D-01  0.481986D+00  0.943352D+00  0.488494D+00
                71            72            73            74            75 
      1   0.854093D+00  0.488494D+00  0.767806D+00  0.719296D-01  0.133119D+01
      2   0.123791D+01  0.121175D+01  0.719296D-01  0.579551D+00 -0.711104D+00
      3   0.121175D+01  0.145041D-01  0.133119D+01 -0.711104D+00  0.198372D+01
                76            77            78            79            80 
      1   0.450229D+00  0.907423D-01 -0.124675D+00  0.228374D+01 -0.280041D+00
      2   0.907423D-01 -0.100238D+01  0.108159D+01 -0.280041D+00  0.149562D+01
      3  -0.124675D+00  0.108159D+01 -0.334259D+00  0.133285D+01 -0.177305D+01
                81            82            83            84            85 
      1   0.133285D+01 -0.127953D+00 -0.950803D+00 -0.433606D+00 -0.163623D+01
      2  -0.177305D+01 -0.950803D+00  0.341934D+00 -0.200051D+00 -0.509372D-01
      3   0.911833D+01 -0.433606D+00 -0.200051D+00  0.236709D+00 -0.780763D-01
                86            87            88            89            90 
      1  -0.509372D-01 -0.780763D-01 -0.571003D+00  0.128725D+00  0.440845D-01
      2  -0.917591D+01 -0.311452D+00  0.128725D+00 -0.235992D+01 -0.120230D+01
      3  -0.311452D+00 -0.125642D+01  0.440845D-01 -0.120230D+01  0.167357D+00
                91            92            93            94            95 
      1  -0.476853D+01 -0.973735D+00  0.280251D+01 -0.718736D+00 -0.760847D+00
      2  -0.973735D+00 -0.743670D+00  0.197820D+00 -0.760847D+00 -0.626035D-01
      3   0.280251D+01  0.197820D+00 -0.335548D+01  0.139741D+00  0.104154D+01
                96            97            98            99           100 
      1   0.139741D+00  0.322912D+01  0.381274D+00 -0.344462D+01  0.320827D+01
      2   0.104154D+01  0.381274D+00  0.103269D+01 -0.795730D+00 -0.254976D+01
      3  -0.743607D+00 -0.344462D+01 -0.795730D+00  0.526422D+01  0.171988D+01
               101           102           103           104           105 
      1  -0.254976D+01  0.171988D+01 -0.308769D+01  0.383674D+01 -0.116650D+01
      2   0.280236D+01 -0.102559D+01  0.383674D+01  0.563108D+01  0.536375D+00
      3  -0.102559D+01 -0.338095D+01 -0.116650D+01  0.536375D+00 -0.139738D+01
               106           107           108           109           110 
      1   0.126434D+01 -0.117510D+01 -0.388263D+01  0.521055D+00  0.743029D+00
      2  -0.117510D+01 -0.629530D+00 -0.147253D+01  0.743029D+00  0.780032D-01
      3  -0.388263D+01 -0.147253D+01  0.111875D+01  0.739270D+00  0.379658D+00
               111           112           113           114           115 
      1   0.739270D+00  0.686764D+00 -0.283017D+00  0.607644D-01  0.118638D+01
      2   0.379658D+00 -0.283017D+00  0.214943D+01  0.209199D+01  0.369843D+00
      3   0.736676D+00  0.607644D-01  0.209199D+01  0.229178D+01  0.349322D-01
               116           117           118           119           120 
      1   0.369843D+00  0.349322D-01 -0.451556D+01  0.289619D+01 -0.117676D+01
      2   0.304307D+01  0.347733D+01  0.289619D+01 -0.360741D+01  0.654343D+00
      3   0.347733D+01  0.728012D+01 -0.117676D+01  0.654343D+00 -0.941238D+00
               121           122           123           124           125 
      1   0.237439D+01 -0.275879D+01  0.570506D+00 -0.185191D+01  0.116945D+01
      2  -0.275879D+01  0.415488D+01 -0.804687D+00  0.116945D+01 -0.184849D+01
      3   0.570506D+00 -0.804687D+00  0.120271D+01 -0.993751D+00  0.153567D+01
               126           127           128           129           130 
      1  -0.993751D+00  0.195225D+01  0.518077D+00 -0.129252D+01  0.582270D+00
      2   0.153567D+01  0.518077D+00  0.550777D+00  0.271585D+00  0.806845D-02
      3  -0.650487D+00 -0.129252D+01  0.271585D+00  0.292682D+01  0.719188D-01
               131           132           133           134           135 
      1   0.806845D-02  0.719188D-01 -0.189777D+01 -0.633666D-01  0.132089D+01
      2  -0.446657D+00 -0.795686D+00 -0.633666D-01 -0.102634D+01 -0.120831D+00
      3  -0.795686D+00  0.400478D+00  0.132089D+01 -0.120831D+00 -0.586659D+01
               136           137           138           139           140 
      1  -0.772076D+01  0.202172D+01 -0.202508D+01  0.368107D+01 -0.212637D+01
      2   0.202172D+01 -0.203224D+01  0.452844D+00 -0.212637D+01  0.140506D+01
      3  -0.202508D+01  0.452844D+00 -0.130457D+01  0.116622D+01 -0.532620D+00
               141           142           143           144           145 
      1   0.116622D+01 -0.121099D+01  0.507598D+00 -0.100193D+01 -0.203512D+01
      2  -0.532620D+00  0.507598D+00 -0.145019D+00  0.613480D+00 -0.149415D+01
      3   0.129063D+01 -0.100193D+01  0.613480D+00 -0.941720D+00 -0.383920D+00
               146           147           148           149           150 
      1  -0.149415D+01 -0.383920D+00 -0.253470D+01 -0.325980D+01 -0.564515D+00
      2  -0.203940D+01 -0.742343D-01 -0.325980D+01 -0.828079D+01 -0.953711D+00
      3  -0.742343D-01 -0.296799D-01 -0.564515D+00 -0.953711D+00 -0.141444D+01
               151           152           153 
      1   0.140166D+00  0.966485D-01 -0.404825D-01
      2   0.966485D-01  0.236410D+00 -0.797953D+00
      3  -0.404825D-01 -0.797953D+00 -0.136816D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.499314D+01  0.427870D+01 -0.162176D+01  0.174283D+01  0.260562D+01
      2  -0.107548D+01 -0.141886D+01  0.145796D+01 -0.162793D+01 -0.300138D+01
      3   0.437349D+01  0.389641D+00 -0.438099D+01  0.621858D+01 -0.412993D+01
                 6             7             8             9            10 
      1  -0.468744D+01 -0.451681D+01  0.498258D+01 -0.670845D+01 -0.278718D+01
      2  -0.983399D+00 -0.292400D+01 -0.269610D+01  0.746389D+01 -0.395300D+01
      3  -0.133364D+00 -0.331130D+01 -0.311265D+01  0.414455D+01  0.195205D+01
                11            12            13            14            15 
      1   0.781797D+01 -0.306254D+01  0.567168D+01  0.551426D+01  0.149628D+01
      2  -0.720680D+01 -0.562137D+01 -0.393823D+01 -0.245162D+00  0.191449D+01
      3  -0.274253D+01  0.403881D+01  0.161160D+01 -0.196597D+01 -0.227996D+01
                16            17            18            19            20 
      1   0.188341D+01  0.170215D+02 -0.696279D+01 -0.573279D+00 -0.408123D+00
      2  -0.118406D+02 -0.175416D+01  0.677582D+01 -0.381336D+01  0.434466D+01
      3   0.233132D+01 -0.529748D+01  0.229417D+00 -0.557387D+00  0.303577D+01
                21            22            23            24            25 
      1  -0.496660D+01  0.120063D+01  0.849377D+01 -0.289557D+01 -0.361375D+00
      2   0.137392D+01  0.358641D+01 -0.628304D+00  0.261730D+01 -0.472854D+01
      3  -0.219530D+01  0.780944D+01 -0.564659D+01  0.106218D+01 -0.145044D+01
                26            27            28            29            30 
      1   0.503232D+01 -0.735525D+01  0.135081D+01 -0.188880D+01  0.944404D+00
      2   0.127608D+01 -0.232866D+01  0.792793D+01 -0.185069D+01 -0.127104D+01
      3   0.765865D+00  0.130759D+01  0.458011D+01 -0.861928D+01  0.151309D+01
                31            32            33            34            35 
      1  -0.286806D+01 -0.321211D+01 -0.307405D+01 -0.157177D+00  0.460840D+01
      2  -0.338041D+01  0.123149D+01 -0.223832D+01 -0.873131D+01 -0.386988D+01
      3  -0.239973D+01 -0.646031D+01  0.556380D-02  0.926695D+00  0.532912D-01
                36            37            38            39            40 
      1   0.509918D+00 -0.415432D+01  0.523576D+01  0.180240D+01  0.547487D+01
      2   0.794956D-02 -0.604372D+01  0.323732D+01  0.185989D+01  0.240062D+01
      3   0.128085D+01 -0.485722D+01 -0.149381D+01  0.320960D+01  0.484921D+01
                41            42            43            44            45 
      1   0.269030D+01  0.194805D+01  0.148849D+01  0.893161D+01  0.461233D+01
      2  -0.231332D+01  0.253404D+01 -0.413330D+01  0.452320D+01  0.398027D+01
      3   0.844170D+01 -0.158542D+01  0.332120D+01 -0.328117D+01 -0.377446D+01
                46            47            48            49            50 
      1   0.108381D+01 -0.497230D+01  0.396067D+01 -0.168878D+01 -0.105347D+00
      2  -0.744696D+00  0.152010D+01  0.129958D+02  0.120883D+01 -0.109052D+01
      3  -0.195515D+01 -0.127118D+02 -0.204930D-01 -0.129991D+01  0.640180D+01
                51            52            53            54            55 
      1  -0.307487D+01 -0.409086D+00 -0.304289D+01  0.145554D+01  0.145518D+00
      2  -0.379991D+01  0.402499D+01  0.685620D-01 -0.607215D+01 -0.180551D+01
      3   0.998873D+00  0.160699D+01  0.413003D+01  0.267332D+00 -0.177624D+01
                56            57            58            59            60 
      1   0.904443D+00  0.714020D+00  0.135191D+01  0.467321D-01 -0.747545D+00
      2   0.272198D+00 -0.372995D-01 -0.146930D+00 -0.534618D+00  0.107830D+00
      3  -0.100812D+01 -0.679729D+00  0.496750D+00  0.783239D+00  0.336999D+00
                61            62            63            64            65 
      1   0.808102D+00 -0.221467D+01  0.137008D+02 -0.151886D+01 -0.522585D+01
      2  -0.334877D+01  0.278114D+01 -0.886843D+01  0.201367D+01  0.219417D+01
      3  -0.279787D+01  0.293631D+01 -0.213084D+01  0.406282D+01 -0.375943D+00
                66            67            68            69            70 
      1  -0.159317D+01 -0.237283D+01 -0.414197D+01 -0.283081D+01 -0.128206D+01
      2   0.229199D+01  0.179229D+01  0.306979D+01  0.152747D+01  0.198127D+00
      3   0.607942D+00  0.441895D+01 -0.273151D+00 -0.424081D+00  0.161808D+01
                71            72            73            74            75 
      1  -0.181664D+01 -0.694760D+00 -0.101823D+00 -0.100846D+01  0.408429D+01
      2   0.162950D+01  0.284562D+00  0.771302D+00 -0.133218D-01 -0.588409D+00
      3  -0.207334D+00 -0.159242D+00 -0.273829D+00 -0.168958D+01 -0.143357D+01
                76            77            78            79            80 
      1  -0.125004D+01  0.809023D-01  0.252005D+00  0.107251D+01 -0.961669D-01
      2  -0.649891D+00  0.761372D-01  0.315625D-02 -0.397240D+01  0.404307D+00
      3   0.374084D+00  0.178591D+00 -0.158737D-01 -0.263685D+01  0.176343D+00
                81            82            83            84            85 
      1   0.114442D+02  0.425691D-01  0.141916D+00 -0.463506D+00 -0.138945D+01
      2   0.821859D+00 -0.913188D+00  0.139802D-01  0.160625D+01  0.135332D+01
      3  -0.212426D+01  0.401411D+00 -0.978006D+00  0.866071D+00  0.543996D+01
                86            87            88            89            90 
      1  -0.109671D+02 -0.373862D+01 -0.415890D+00 -0.298288D+01 -0.151836D+01
      2   0.164765D+00 -0.617708D+00 -0.187465D+00  0.217666D-01 -0.332154D+00
      3   0.265931D+01 -0.303605D-01  0.194639D+01  0.101645D+01  0.139983D+00
                91            92            93            94            95 
      1  -0.425669D+00 -0.161834D+01 -0.697118D+00 -0.379099D+00  0.779623D-01
      2   0.396565D+00  0.355420D+00  0.418449D+01  0.483477D+00 -0.912825D+00
      3   0.180829D+00 -0.261281D+01 -0.620211D+00  0.510233D+00 -0.174021D-01
                96            97            98            99           100 
      1  -0.269476D+00  0.177059D+00  0.272763D+01  0.144627D+00  0.454171D+01
      2   0.135139D+01  0.483568D-01  0.893797D+00 -0.549655D+01  0.989161D-01
      3   0.144615D+01 -0.891185D+00  0.281782D+01 -0.273152D+00 -0.880462D+01
               101           102           103           104           105 
      1  -0.431454D+01 -0.235533D+01 -0.644382D+01 -0.645460D+01 -0.445624D+01
      2   0.189775D+00  0.134365D+02  0.271206D+00  0.280199D+01  0.201737D+01
      3   0.672772D+01 -0.397796D+01  0.132524D+02  0.989452D+01  0.190969D+01
               106           107           108           109           110 
      1  -0.161645D+01  0.389027D+00  0.325428D+01  0.141384D+00 -0.623430D+00
      2   0.778089D+01  0.211393D+01 -0.675635D+01 -0.891221D+00 -0.102231D+01
      3  -0.377548D+01  0.319561D+00 -0.419136D+00  0.188543D+01  0.187207D+00
               111           112           113           114           115 
      1  -0.858011D+00 -0.333898D+00 -0.118413D+01 -0.345759D+01  0.559773D-02
      2  -0.128670D-01 -0.132227D+01 -0.142020D+01 -0.190486D+01 -0.312171D+01
      3   0.126154D+01  0.202815D+01  0.651295D+00  0.199563D+01  0.295067D+01
               116           117           118           119           120 
      1  -0.452579D+00 -0.972495D+01  0.269396D+01 -0.202564D+01  0.268172D+01
      2  -0.280591D+01 -0.584360D+01  0.305501D+01 -0.220010D+01  0.312746D+01
      3   0.292396D+01  0.237820D+01 -0.563595D+01 -0.118188D+01 -0.120693D+01
               121           122           123           124           125 
      1  -0.227587D+01  0.270354D+01 -0.378543D+01  0.168396D+01 -0.168686D+01
      2  -0.142765D+01  0.213909D+01 -0.226576D+01  0.857067D+00 -0.225873D+01
      3   0.344723D+01 -0.122254D+00  0.919465D-01 -0.297517D+01 -0.101362D+01
               126           127           128           129           130 
      1   0.226107D+01 -0.224592D+01 -0.178551D+01  0.256747D+01 -0.406231D+00
      2   0.175256D+01  0.695506D+01  0.683128D+00 -0.676000D+01  0.117408D+01
      3   0.101839D+00 -0.896126D+00 -0.377864D+00  0.133340D+01  0.542956D+00
               131           132           133           134           135 
      1  -0.516535D+00  0.354992D+00  0.196551D+01  0.324619D+01 -0.463893D+01
      2   0.175067D+01 -0.822099D+00 -0.838965D+01 -0.330041D+00  0.133769D+02
      3  -0.625334D+00 -0.138035D+01  0.124139D+01 -0.134549D+01 -0.129052D+01
               136           137           138           139           140 
      1  -0.389647D+01  0.323950D+01 -0.729771D+00  0.261725D+01 -0.224847D+01
      2  -0.248308D+01  0.103127D+01  0.360184D+01  0.117355D+01 -0.628685D+00
      3   0.881280D+01 -0.856246D+01  0.234246D+01 -0.545103D+01  0.568534D+01
               141           142           143           144           145 
      1   0.781499D-01 -0.115022D+01  0.162063D+01 -0.117478D+01  0.710620D+00
      2  -0.299326D+01 -0.612259D+00 -0.101553D+01  0.173439D+01 -0.268620D+00
      3  -0.153854D+01  0.214772D+01 -0.111950D+01  0.218193D+01 -0.971799D+00
               146           147           148           149           150 
      1   0.225269D+01 -0.407160D+00  0.212235D+01  0.732298D+01 -0.347789D+01
      2  -0.835695D+00  0.720916D+00 -0.950462D+00 -0.458922D+00  0.355227D+01
      3  -0.444791D+01  0.477949D-01 -0.184569D+01 -0.159759D+02 -0.123215D+01
               151           152           153 
      1   0.303815D+00  0.194431D+00  0.690023D+00
      2  -0.922682D+00  0.153913D+01  0.272732D+00
      3  -0.252155D+00  0.237610D+00 -0.186008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.410263D+00  0.277431D+01  0.517819D+00 -0.364076D+01 -0.486771D+01
      2  -0.497817D+01 -0.160484D+02  0.769388D+00 -0.687497D+01  0.975022D+00
      3   0.456791D+01  0.132741D+02 -0.128721D+01  0.105157D+02  0.389269D+01
      4  -0.596187D+01 -0.141622D+02 -0.359633D+01 -0.649862D+01 -0.153538D+02
      5  -0.306210D+00 -0.221967D+01  0.477873D+00 -0.151778D+01 -0.161586D+01
      6  -0.402689D+01 -0.529977D+00  0.301558D+01 -0.207404D+01 -0.403042D+01
                 6             7             8             9            10 
      1   0.214918D+01  0.496207D+01 -0.469200D+01  0.108973D+02 -0.408618D+02
      2  -0.371381D+01 -0.302324D+01 -0.535296D+01  0.361605D+01  0.207109D+02
      3   0.156464D+01 -0.193883D+01  0.100450D+02 -0.145134D+02  0.201509D+02
      4  -0.148009D+01 -0.777605D+01 -0.465754D+00 -0.338878D+01  0.173520D+02
      5  -0.139518D+01 -0.160865D+00 -0.114394D+01  0.407882D+01  0.950618D+01
      6   0.349352D+01  0.368690D+01 -0.384189D+01  0.153239D+02 -0.450754D+01
                11            12            13            14            15 
      1   0.636817D+01  0.151995D+01  0.155021D+02  0.277356D+00 -0.517790D+01
      2   0.245629D+01 -0.566971D+01 -0.976365D+01 -0.274692D+01  0.184365D+01
      3  -0.882446D+01  0.414976D+01 -0.573844D+01  0.246956D+01  0.333425D+01
      4  -0.118444D+02 -0.248947D+01 -0.248380D+01  0.270921D+01  0.121350D+01
      5  -0.173725D+01 -0.108258D+02 -0.238644D+01  0.203074D+01  0.480812D+01
      6   0.671390D+01  0.351385D+01  0.232060D+01  0.877887D+00 -0.391859D+01
                16            17            18            19            20 
      1   0.103807D+02 -0.432628D+01 -0.713924D+01 -0.213200D+01 -0.300963D+01
      2  -0.505362D+01  0.242068D+01 -0.810758D+00  0.387980D+01  0.158421D+01
      3  -0.532712D+01  0.190560D+01  0.795000D+01 -0.174780D+01  0.142543D+01
      4  -0.189784D+01  0.588307D+01  0.316219D+01 -0.258381D+00  0.291958D+01
      5   0.143759D+01  0.122110D+01  0.749833D+01 -0.406435D+01 -0.118802D+01
      6   0.181059D+01  0.263403D+00  0.510669D+00 -0.368387D+01 -0.288028D+01
                21            22            23            24            25 
      1   0.570036D+01  0.434847D+01  0.742514D+01  0.287572D+01 -0.431786D+00
      2   0.318498D+01 -0.376792D+01 -0.194983D+02 -0.283422D+01  0.195367D+01
      3  -0.888534D+01 -0.580547D+00  0.120731D+02 -0.414962D-01 -0.152189D+01
      4  -0.529002D+00 -0.808228D-01  0.283368D+01 -0.301966D+00 -0.842342D+00
      5   0.727296D+00 -0.148358D+01  0.274347D-02  0.341265D+01  0.287505D+01
      6   0.556735D+01  0.721628D+00 -0.362147D+01  0.341981D+01  0.116175D+01
                26            27            28            29            30 
      1   0.138585D+01  0.182275D+02  0.636038D+00 -0.370680D+01  0.529662D+01
      2  -0.831019D+01  0.463803D+01  0.294462D+01  0.133422D+01 -0.483235D+01
      3   0.692434D+01 -0.228655D+02 -0.358066D+01  0.237258D+01 -0.464267D+00
      4  -0.191858D+01  0.323715D+01 -0.356278D+01  0.183086D+01 -0.156334D+01
      5   0.276334D+01 -0.105736D+02  0.119404D+02  0.119001D+01 -0.173972D+02
      6   0.654502D+00  0.112931D+02  0.259095D+01 -0.168937D+01 -0.441402D+01
                31            32            33            34            35 
      1  -0.669076D+01  0.677533D+01 -0.319522D+01  0.179310D+01 -0.357540D+01
      2   0.464222D+01 -0.400944D+01  0.205007D+01 -0.485001D+01  0.115538D+01
      3   0.204854D+01 -0.276589D+01  0.114516D+01  0.305691D+01  0.242002D+01
      4   0.428604D+01  0.729043D+01  0.392465D+00 -0.458099D+01 -0.244909D+01
      5  -0.669011D+00  0.804435D+00 -0.540835D+01 -0.205969D+02 -0.702465D+01
      6   0.476832D+00 -0.114851D+01 -0.150300D+01 -0.477127D+01 -0.281430D+00
                36            37            38            39            40 
      1  -0.154092D+02 -0.275948D+01  0.134274D+01 -0.324374D+00  0.287051D+01
      2   0.127571D+02 -0.410574D+01  0.956911D+01 -0.144835D+01  0.720948D+01
      3   0.265217D+01  0.686522D+01 -0.109119D+02  0.177273D+01 -0.100800D+02
      4  -0.853939D+01  0.399454D+01 -0.123547D+02  0.808748D+01 -0.106582D+02
      5   0.100846D+02 -0.643224D+01  0.338867D+01  0.166007D+01  0.108796D+01
      6   0.146302D+01  0.567105D+01 -0.426209D+01 -0.326704D+01 -0.364144D+01
                41            42            43            44            45 
      1  -0.580531D+01  0.575517D+01 -0.103589D+01  0.952505D+01  0.140140D+02
      2   0.727321D+01  0.203633D+01 -0.213590D+01  0.226614D+01 -0.538543D+01
      3  -0.146790D+01 -0.779150D+01  0.317179D+01 -0.117912D+02 -0.862861D+01
      4   0.630816D+01 -0.291545D+01  0.121168D+02 -0.259183D+01  0.639042D+01
      5  -0.241033D+01  0.191106D+01  0.266684D+01  0.409879D+01  0.226550D+01
      6   0.202663D+01 -0.922979D+01 -0.984854D+00 -0.112987D+02 -0.190305D+02
                46            47            48            49            50 
      1   0.851227D+02 -0.125810D+02 -0.636222D+01 -0.139868D+02  0.953700D+01
      2  -0.446333D+02  0.302673D+01  0.601289D+01  0.462833D+01  0.607159D+00
      3  -0.404895D+02  0.955426D+01  0.349329D+00  0.935843D+01 -0.101442D+02
      4  -0.252755D+02  0.232221D+02  0.425870D+01  0.238465D+02 -0.155575D+02
      5  -0.116448D+02  0.300433D+01  0.218029D+02  0.408904D+01 -0.406390D+01
      6   0.761942D+01 -0.431668D+01 -0.546990D+01 -0.437271D+01  0.406098D+01
                51            52            53            54            55 
      1   0.179117D+01 -0.800546D+01  0.206438D+01  0.104646D+02 -0.234579D+01
      2  -0.103269D+01  0.657074D+01 -0.201246D+00 -0.108045D+02 -0.550178D+00
      3  -0.758479D+00  0.143472D+01 -0.186313D+01  0.339942D+00  0.289597D+01
      4  -0.508517D+01  0.535721D+01 -0.549148D+01 -0.728122D+01  0.157664D+00
      5  -0.651214D+01  0.228566D+02 -0.662878D+01 -0.121605D+02 -0.216679D+00
      6   0.720848D+01 -0.581216D+01  0.785321D+01  0.382619D+01 -0.253524D+01
                56            57            58            59            60 
      1   0.709800D+00 -0.169816D+01 -0.955144D-02 -0.455947D+01  0.316061D+01
      2   0.775189D+00  0.407834D+00  0.820145D+00  0.354384D+01 -0.355162D+01
      3  -0.148499D+01  0.129032D+01 -0.810594D+00  0.101562D+01  0.391006D+00
      4   0.445507D+01 -0.219033D+01  0.209039D+01  0.255951D+01 -0.940477D+00
      5  -0.104152D+01  0.466953D+01  0.407973D+00 -0.419874D+00 -0.334740D+00
      6  -0.239206D-01 -0.185959D+01 -0.101919D+00 -0.430362D+01  0.647287D+01
                61            62            63            64            65 
      1  -0.337841D+01  0.910987D+01 -0.193001D+02  0.785441D+01 -0.520148D+00
      2   0.151891D+01 -0.332149D+01 -0.827397D+01  0.448075D+01  0.127312D+02
      3   0.185950D+01 -0.578839D+01  0.275741D+02 -0.123352D+02 -0.122111D+02
      4  -0.275488D+01 -0.320563D+01  0.465145D+01  0.201100D+02  0.229438D+02
      5   0.480377D+01  0.203258D+01 -0.754124D+01  0.111763D+01  0.661309D+00
      6  -0.253187D+00  0.119329D+02 -0.237893D+02  0.111779D+01  0.431380D+00
                66            67            68            69            70 
      1   0.453177D+00 -0.228147D+00 -0.894452D+01  0.474900D-01  0.833775D+00
      2   0.988482D-01  0.100741D+02  0.255865D+02  0.166245D+01  0.833128D+00
      3  -0.552026D+00 -0.984598D+01 -0.166420D+02 -0.170994D+01 -0.166690D+01
      4   0.107494D+01  0.166221D+02  0.237555D+02  0.153263D+01  0.486903D+01
      5   0.393602D+01  0.708772D+00  0.223707D+01  0.232575D+01  0.332743D+01
      6   0.316702D+01  0.355798D+00  0.126611D+01  0.517254D+01  0.301132D+01
                71            72            73            74            75 
      1  -0.438581D+00 -0.286001D+01  0.239998D+00  0.234366D+01 -0.392473D+01
      2   0.496979D+01  0.246438D+01 -0.402276D+01 -0.583478D+00 -0.299744D+01
      3  -0.453121D+01  0.395625D+00  0.378276D+01 -0.176018D+01  0.692216D+01
      4   0.457484D+01  0.508539D+01 -0.151065D+01  0.297972D+01 -0.372387D+01
      5   0.388927D+01  0.167850D+01  0.499543D+01 -0.218646D+01  0.912463D+01
      6   0.691134D+01  0.614994D+00 -0.258350D+01  0.302334D+01 -0.504264D+01
                76            77            78            79            80 
      1   0.203785D+00 -0.599894D+01  0.235440D+01 -0.128137D+01  0.681067D+01
      2   0.552662D+00  0.368194D+01 -0.322168D+01 -0.247235D+01 -0.791462D+00
      3  -0.756446D+00  0.231699D+01  0.867288D+00  0.375371D+01 -0.601920D+01
      4   0.113484D+01 -0.469800D+00  0.126293D+01 -0.398787D+01  0.206089D+01
      5   0.345781D+00  0.144139D+01 -0.192267D+00  0.652481D+01 -0.228778D+01
      6   0.130105D+01 -0.347608D+01  0.653920D+01 -0.266875D+01  0.100239D+02
                81            82            83            84            85 
      1  -0.260918D+02  0.173628D+00  0.345995D+00 -0.101208D+01 -0.136357D+01
      2  -0.135627D+02  0.296533D+01 -0.867214D+00  0.481943D+00  0.136681D+01
      3   0.396545D+02 -0.313896D+01  0.521219D+00  0.530137D+00 -0.323935D-02
      4  -0.322703D+01 -0.143241D+00  0.784619D+01  0.538728D+00  0.662690D+01
      5   0.114396D+02 -0.580047D+00 -0.107312D+01  0.183774D+01 -0.356981D+00
      6  -0.202359D+02  0.677918D+00  0.448767D+00 -0.270539D+00  0.454956D+00
                86            87            88            89            90 
      1  -0.240799D+02  0.628673D+00 -0.299254D+00 -0.353188D+01 -0.532980D+01
      2   0.428124D+02  0.183919D+01  0.563339D-01  0.841394D+01  0.346861D+01
      3  -0.187325D+02 -0.246787D+01  0.242921D+00 -0.488206D+01  0.186119D+01
      4  -0.160198D+01  0.333936D-01  0.237082D+01 -0.126103D+01 -0.192853D+00
      5   0.289652D+00 -0.547449D+00  0.745685D+00 -0.120680D+00  0.704376D+00
      6  -0.375763D+01  0.631884D+01  0.176808D+00  0.599578D+01  0.767320D+00
                91            92            93            94            95 
      1   0.167099D+02  0.227233D+01 -0.769178D+01  0.236267D+01  0.159442D+00
      2  -0.146255D+02 -0.187852D+01  0.965927D+01 -0.148043D+01  0.223189D-01
      3  -0.208439D+01 -0.393811D+00 -0.196749D+01 -0.882241D+00 -0.181761D+00
      4   0.505951D+01  0.513216D+01 -0.201386D+01  0.544625D+01  0.128257D+01
      5  -0.200289D+02 -0.224046D+01  0.198780D+02 -0.197896D+01 -0.539169D+01
      6  -0.278542D+01 -0.249619D+01  0.335496D+01 -0.273828D+01 -0.198746D+01
                96            97            98            99           100 
      1   0.612671D-01 -0.697039D+01 -0.667536D-03  0.216938D+01 -0.175623D+02
      2   0.120063D+00  0.114243D+02  0.110755D+01 -0.154134D+02  0.113658D+02
      3  -0.181330D+00 -0.445389D+01 -0.110688D+01  0.132440D+02  0.619648D+01
      4  -0.401179D+01 -0.237874D+01 -0.351451D+01  0.306413D+01  0.114901D+02
      5   0.310619D+01  0.208467D+02  0.347498D+01 -0.260699D+02 -0.105614D+02
      6   0.544716D+01  0.289477D+01  0.494556D+01 -0.513465D+01  0.345105D+01
               101           102           103           104           105 
      1   0.156639D+02 -0.156100D+02  0.202539D+02 -0.101905D+02  0.465167D+01
      2  -0.141037D+02 -0.193622D+00 -0.185703D+02 -0.938548D+01 -0.554466D+01
      3  -0.156017D+01  0.158037D+02 -0.168361D+01  0.195760D+02  0.892990D+00
      4  -0.108345D+02  0.287743D+01 -0.160825D+02 -0.257325D+02 -0.161504D+01
      5   0.703953D+01  0.804951D+01  0.881988D+01 -0.404345D+01  0.566272D+01
      6  -0.340719D+01  0.605756D+01 -0.466670D+01 -0.535965D+01  0.237675D+01
               106           107           108           109           110 
      1  -0.121027D+02  0.425227D+01  0.183070D+02 -0.136666D+01 -0.272256D+01
      2   0.126448D+00 -0.383448D+01 -0.462163D+01  0.245660D+00  0.107491D+01
      3   0.119762D+02 -0.417794D+00 -0.136853D+02  0.112100D+01  0.164765D+01
      4   0.455221D+01  0.214952D+01  0.105376D+02 -0.215534D+00  0.454609D+01
      5   0.100177D+02  0.654134D+01  0.337351D+01  0.521132D+00  0.164867D+01
      6   0.669113D+01  0.200924D+01  0.558958D+00  0.334614D+01  0.235496D+01
               111           112           113           114           115 
      1  -0.264380D+01 -0.655461D+00 -0.910595D+01 -0.868972D+01 -0.201095D+01
      2   0.119378D+01 -0.584756D+00  0.810444D+01  0.554931D+01  0.116064D+01
      3   0.145003D+01  0.124022D+01  0.100151D+01  0.314041D+01  0.850311D+00
      4   0.235791D+01  0.424021D+01 -0.336894D+01 -0.212651D+01  0.343823D+01
      5   0.459172D+01  0.116499D+01 -0.176925D+01 -0.196183D+01  0.450098D+01
      6   0.325004D+01  0.473039D+00  0.118180D+02  0.140175D+02 -0.470594D+00
               116           117           118           119           120 
      1  -0.127273D+02 -0.207900D+02  0.101766D+02 -0.106920D+01  0.184071D+01
      2   0.674440D+01 -0.141078D+01  0.297813D+01 -0.996628D+01  0.792554D+00
      3   0.598295D+01  0.222008D+02 -0.131548D+02  0.110355D+02 -0.263327D+01
      4  -0.445173D+01 -0.516321D+01 -0.206695D+02  0.193766D+02 -0.507335D+01
      5  -0.390808D+01 -0.708907D+01  0.364368D+01 -0.194156D+01  0.442846D+01
      6   0.183353D+02  0.288916D+02 -0.344158D+01  0.186506D+01 -0.380925D+01
               121           122           123           124           125 
      1  -0.127511D+01 -0.405312D+01  0.239989D-01  0.221008D+01  0.888270D+00
      2  -0.840622D+01  0.170173D+02 -0.348235D+01  0.143303D+01 -0.665086D+01
      3   0.968132D+01 -0.129642D+02  0.345835D+01 -0.364311D+01  0.576259D+01
      4   0.162563D+02 -0.189182D+02  0.393343D+01 -0.841858D+01  0.798491D+01
      5  -0.169348D+01  0.222759D+01 -0.269377D+01  0.479399D+01 -0.392044D+01
      6   0.177817D+01 -0.351645D+01  0.615456D+01 -0.382815D+01  0.704354D+01
               126           127           128           129           130 
      1  -0.171242D+01 -0.532276D+01 -0.118853D+01  0.107559D+02 -0.281772D+01
      2   0.239533D+01 -0.614015D+00  0.602659D+00  0.185550D+01  0.207066D+01
      3  -0.682908D+00  0.593677D+01  0.585870D+00 -0.126114D+02  0.747060D+00
      4  -0.599255D+01 -0.388892D+01 -0.518660D-01  0.124673D+01  0.216243D+01
      5   0.370228D+01 -0.224933D+01 -0.133808D+01 -0.267838D+01 -0.132328D+01
      6  -0.302251D+01  0.651336D+00 -0.254603D+01 -0.391603D+01 -0.827516D+00
               131           132           133           134           135 
      1  -0.198670D+01 -0.389094D+00  0.106890D+02 -0.102236D+01 -0.197803D+02
      2   0.138844D+01  0.191651D+01 -0.964673D+00  0.145670D+01 -0.869799D+01
      3   0.598258D+00 -0.152741D+01 -0.972428D+01 -0.434342D+00  0.284783D+02
      4   0.212489D+01  0.179517D+01  0.237705D+01  0.266113D+01 -0.273550D+01
      5   0.132745D+01 -0.144608D+01  0.277488D+01  0.101810D+00  0.109195D+02
      6   0.879101D+00  0.371845D+01 -0.157670D+01  0.465406D+01  0.642866D+01
               136           137           138           139           140 
      1   0.487797D+02 -0.129344D+02  0.940890D+01 -0.212707D+02  0.970240D+01
      2  -0.284867D+02  0.846721D+01 -0.777148D+01  0.126486D+02 -0.317916D+01
      3  -0.202930D+02  0.446718D+01 -0.163742D+01  0.862214D+01 -0.652324D+01
      4  -0.821928D+01  0.115979D+02 -0.157349D+01  0.116537D+02 -0.820997D+01
      5   0.192659D+02 -0.498874D+01  0.118829D+02 -0.961822D+01  0.465528D+01
      6  -0.317682D+01  0.410700D+01 -0.111154D+01  0.398615D+01 -0.319560D+01
               141           142           143           144           145 
      1  -0.403626D+01  0.630266D+01 -0.170387D+01  0.389422D+01  0.891114D+01
      2   0.443221D+01 -0.572480D+01  0.237043D+01 -0.557370D+01 -0.886545D+00
      3  -0.395951D+00 -0.577861D+00 -0.666562D+00  0.167949D+01 -0.802459D+01
      4   0.260090D+01 -0.141192D+01  0.880253D+00 -0.327828D+01  0.104988D+02
      5  -0.754934D+01  0.102889D+02 -0.446330D+01  0.601635D+01  0.354751D+01
      6   0.175813D+01 -0.154685D+01  0.196476D+01 -0.642129D+00  0.161519D+01
               146           147           148           149           150 
      1   0.452073D+01  0.171230D+01  0.709246D+01 -0.289665D+01 -0.107039D+01
      2   0.252119D+01 -0.513290D+00  0.404458D+01  0.250310D+02  0.497661D-01
      3  -0.704192D+01 -0.119901D+01 -0.111370D+02 -0.221344D+02  0.102062D+01
      4   0.153159D+02  0.900010D+00  0.214360D+02  0.393058D+02  0.416598D+01
      5   0.161125D+01  0.256184D+01  0.440335D+01  0.469800D+01  0.681465D+01
      6   0.320733D+01  0.123419D+01  0.500829D+01  0.120571D+02  0.728072D+01
               151           152           153 
      1  -0.624481D+00 -0.107722D+01 -0.271240D+01
      2   0.178141D+00 -0.150159D+01  0.206393D+01
      3   0.446340D+00  0.257881D+01  0.648469D+00
      4  -0.103213D+01 -0.844965D+00  0.367048D+01
      5   0.229462D+01  0.433147D+01  0.126959D+00
      6   0.143628D+01  0.575270D+01  0.765422D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x         -0.116024D+01     -0.294904D+01     -0.983692D+01
   y          0.383638D+00      0.975111D+00      0.325262D+01
   z          0.311602D+00      0.792012D+00      0.264187D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.765775D+02      0.113476D+02      0.126259D+02
   yx        -0.664074D+00     -0.984056D-01     -0.109491D+00
   yy         0.704327D+02      0.104370D+02      0.116128D+02
   zx        -0.124348D+01     -0.184264D+00     -0.205021D+00
   zy        -0.139431D+01     -0.206616D+00     -0.229891D+00
   zz         0.623399D+02      0.923782D+01      0.102785D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.725477D+02      0.107505D+02      0.119615D+02
   aniso      0.138423D+02      0.205122D+01      0.228229D+01
   xx         0.799977D+02      0.118544D+02      0.131898D+02
   yx        -0.104297D+01     -0.154552D+00     -0.171962D+00
   yy         0.729182D+02      0.108054D+02      0.120226D+02
   zx        -0.154609D+01     -0.229107D+00     -0.254916D+00
   zy        -0.141112D+01     -0.209106D+00     -0.232661D+00
   zz         0.647272D+02      0.959158D+01      0.106721D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.31375307          2.60011328         -0.55786525
     6          0.60291535          0.24505832         -2.19928680
     6          0.89397356         -2.03950270         -0.46714025
     6          0.05208436         -1.12652576          2.15491560
     6          0.82036366          1.69637880          2.14618885
     8          0.60033342          0.20261504         -4.47391883
     1         -1.62013454          3.28736603         -0.79843978
     1          1.56308325          4.09663253         -1.22138169
     1          2.90278114         -2.53951272         -0.47007963
     1         -0.14079087         -3.66115645         -1.20271020
     1          1.05302224         -2.13589284          3.64883537
     6         -2.78794957         -1.47654919          2.54787070
     1          2.83324433          1.86408015          2.57383780
     1         -0.20129685          2.78170848          3.56836369
     1         -3.88189063         -0.51277984          1.08460476
     1         -3.38049557         -0.72163501          4.37396586
     1         -3.30102047         -3.47356550          2.48626813

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.126112D+01      0.320545D+01      0.106922D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.628105D+02      0.930756D+01      0.103561D+02
   yx         0.124941D+01      0.185143D+00      0.205999D+00
   yy         0.706724D+02      0.104726D+02      0.116523D+02
   zx        -0.309753D+01     -0.459006D+00     -0.510713D+00
   zy        -0.747027D+00     -0.110698D+00     -0.123168D+00
   zz         0.758671D+02      0.112423D+02      0.125088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.725477D+02      0.107505D+02      0.119615D+02
   aniso      0.138423D+02      0.205122D+01      0.228229D+01
   xx         0.650689D+02      0.964222D+01      0.107284D+02
   yx         0.116646D+01      0.172851D+00      0.192323D+00
   yy         0.730893D+02      0.108307D+02      0.120508D+02
   zx        -0.312846D+01     -0.463590D+00     -0.515813D+00
   zy        -0.739518D+00     -0.109585D+00     -0.121930D+00
   zz         0.794849D+02      0.117784D+02      0.131053D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-09\Freq\RwB97XD\Gen\C6H10O1\PIERPA\23-Jul-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.633721,1.2
 21277,-0.338752\C,1.202323,-0.162379,-0.03348\C,0.137211,-0.968205,0.7
 02463\C,-1.17404,-0.198817,0.488459\C,-0.703929,1.273985,0.406927\O,2.
 304239,-0.549644,-0.325314\H,0.503664,1.289578,-1.422345\H,1.346883,1.
 995992,-0.058182\H,0.420796,-0.975077,1.760549\H,0.126808,-2.003965,0.
 363566\H,-1.851041,-0.333959,1.333578\C,-1.889774,-0.644315,-0.786475\
 H,-0.549986,1.66403,1.415809\H,-1.441119,1.913307,-0.079228\H,-1.24892
 4,-0.537622,-1.665524\H,-2.789893,-0.050884,-0.957715\H,-2.184175,-1.6
 9352,-0.722841\\Version=ES64L-G16RevA.03\State=1-A\HF=-310.0341284\RMS
 D=7.102e-09\RMSF=1.022e-05\ZeroPoint=0.1490467\Thermal=0.1559487\Dipol
 e=-1.1602399,0.3836382,0.3116017\DipoleDeriv=-0.0023389,0.0813391,0.02
 78676,0.1879317,-0.326734,0.121261,-0.0400744,0.1668149,0.0639734,1.22
 86766,-0.2108783,-0.3071958,-0.212944,0.8664031,-0.1988789,-0.3479288,
 -0.196836,0.3246232,-0.1607565,-0.0834607,0.1318103,-0.1752744,-0.0937
 455,0.166945,0.2016756,0.1369327,-0.0432912,0.166906,0.0329153,-0.0141
 818,-0.0018448,0.0744707,0.0170334,0.0271573,0.0162805,0.1569729,0.094
 1287,-0.0408211,0.0288822,-0.0373659,0.0396957,-0.0002335,-0.0160606,0
 .0122669,0.117559,-1.1629539,0.2330766,0.186325,0.246744,-0.5683766,-0
 .0072409,0.2289942,-0.0125786,-0.4050926,0.0381038,0.0373583,-0.018632
 5,0.025648,0.0586699,-0.0299818,0.0156666,-0.0024527,-0.0797279,-0.048
 1241,-0.0712998,-0.0015651,-0.0592407,-0.0100337,-0.0072265,-0.0129676
 ,-0.0541308,0.0670733,-0.0106937,-0.0054609,-0.0445318,-0.0115813,0.07
 5849,-0.0265925,-0.0630611,0.013151,-0.0707767,0.0217831,-0.0002914,0.
 0121668,0.0135265,-0.0886198,-0.0212368,-0.002131,-0.0691989,0.0634382
 ,-0.0818874,-0.0308567,0.0779557,-0.0301002,0.0196767,0.0114052,0.0907
 701,0.0145804,-0.1035002,0.0677346,-0.0188574,-0.0481355,-0.0161163,0.
 0735646,-0.0343801,-0.0319572,-0.0237178,0.0166332,0.0115698,-0.039623
 ,-0.0333863,-0.0278261,0.0020052,-0.0578777,0.0005238,-0.0967044,-0.13
 47446,-0.0703667,0.102756,-0.031541,0.077782,-0.0310978,0.0341743,-0.0
 640163,0.0765105,0.0200895,-0.028447,-0.0141947,0.1134724,-0.0168609,0
 .0564273,0.0280617,0.0641635,0.0047036,-0.0703612,-0.1006107,0.0729355
 ,-0.0577098,0.1202026,-0.0054522,0.0219383,-0.0399627,-0.0068335,0.036
 7995,0.0372764,-0.0446366,-0.0216002,-0.0826803,-0.1427027,-0.0171702,
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 NOTHING MAKES A PERSON MORE PRODUCTIVE THAN THE LAST MINUTE.
 Job cpu time:       0 days  1 hours 45 minutes 51.2 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 38.7 seconds.
 File lengths (MBytes):  RWF=    208 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:02:57 2021.
